4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide

C66H82N22O16S4 — CID 158759122

IUPAC4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide
SMILESCc1c[nH]c(C(N)=O)c1.Cc1ccc(C(N)=O)[nH]1.Cc1ccc(C(N)=O)o1.Cc1ccc(C(N)=O)s1.Cc1cnc(C(N)=O)[nH]1.Cc1cnc(C(N)=O)o1.Cc1cnc(C(N)=O)s1.Cc1coc(C(N)=O)c1.Cc1csc(C(N)=O)c1.Cc1ncc(C(N)=O)[nH]1.Cc1ncc(C(N)=O)o1.Cc1ncc(C(N)=O)s1
InChIInChI=1S/2C6H8N2O.2C6H7NO2.2C6H7NOS.2C5H7N3O.2C5H6N2O2.2C5H6N2OS/c1-4-2-5(6(7)9)8-3-4;1-4-2-3-5(8-4)6(7)9;1-4-2-5(6(7)8)9-3-4;1-4-2-3-5(9-4)6(7)8;1-4-2-5(6(7)8)9-3-4;1-4-2-3-5(9-4)6(7)8;1-3-7-2-4(8-3)5(6)9;1-3-2-7-5(8-3)4(6)9;1-3-7-2-4(9-3)5(6)8;1-3-2-7-5(9-3)4(6)8;1-3-7-2-4(9-3)5(6)8;1-3-2-7-5(9-3)4(6)8/h2*2-3,8H,1H3,(H2,7,9);4*2-3H,1H3,(H2,7,8);2*2H,1H3,(H2,6,9)(H,7,8);4*2H,1H3,(H2,6,8)
InChIKeyIOLDBIKBPHJSTB-UHFFFAOYSA-N
MW1567.79 g/mol
LogP5.43
Rot. Bonds12

About 4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide

4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide (PubChem CID 158759122) has the molecular formula C66H82N22O16S4 and a molecular weight of 1567.79 g/mol. Its IUPAC name is 4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide
PubChem CID158759122
Molecular FormulaC66H82N22O16S4
Molecular Weight1567.79 g/mol
Exact Mass1566.52
IUPAC Name4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide
SMILESCc1c[nH]c(C(N)=O)c1.Cc1ccc(C(N)=O)[nH]1.Cc1ccc(C(N)=O)o1.Cc1ccc(C(N)=O)s1.Cc1cnc(C(N)=O)[nH]1.Cc1cnc(C(N)=O)o1.Cc1cnc(C(N)=O)s1.Cc1coc(C(N)=O)c1.Cc1csc(C(N)=O)c1.Cc1ncc(C(N)=O)[nH]1.Cc1ncc(C(N)=O)o1.Cc1ncc(C(N)=O)s1
InChIInChI=1S/2C6H8N2O.2C6H7NO2.2C6H7NOS.2C5H7N3O.2C5H6N2O2.2C5H6N2OS/c1-4-2-5(6(7)9)8-3-4;1-4-2-3-5(8-4)6(7)9;1-4-2-5(6(7)8)9-3-4;1-4-2-3-5(9-4)6(7)8;1-4-2-5(6(7)8)9-3-4;1-4-2-3-5(9-4)6(7)8;1-3-7-2-4(8-3)5(6)9;1-3-2-7-5(8-3)4(6)9;1-3-7-2-4(9-3)5(6)8;1-3-2-7-5(9-3)4(6)8;1-3-7-2-4(9-3)5(6)8;1-3-2-7-5(9-3)4(6)8/h2*2-3,8H,1H3,(H2,7,9);4*2-3H,1H3,(H2,7,8);2*2H,1H3,(H2,6,9)(H,7,8);4*2H,1H3,(H2,6,8)
InChIKeyIOLDBIKBPHJSTB-UHFFFAOYSA-N
XLogP5.43
TPSA710.14 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds12
Heavy Atoms108
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001567.79
LogP ≤ 55.43
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Analyze 4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide?
The IUPAC name of 4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide (CID 158759122) is 4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide.
What is the SMILES notation for 4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide?
The canonical SMILES for 4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide is Cc1c[nH]c(C(N)=O)c1.Cc1ccc(C(N)=O)[nH]1.Cc1ccc(C(N)=O)o1.Cc1ccc(C(N)=O)s1.Cc1cnc(C(N)=O)[nH]1.Cc1cnc(C(N)=O)o1.Cc1cnc(C(N)=O)s1.Cc1coc(C(N)=O)c1.Cc1csc(C(N)=O)c1.Cc1ncc(C(N)=O)[nH]1.Cc1ncc(C(N)=O)o1.Cc1ncc(C(N)=O)s1.
What is the InChIKey of 4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide?
The InChIKey is IOLDBIKBPHJSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H8N2O.2C6H7NO2.2C6H7NOS.2C5H7N3O.2C5H6N2O2.2C5H6N2OS/c1-4-2-5(6(7)9)8-3-4;1-4-2-3-5(8-4)6(7)9;1-4-2-5(6(7)8)9-3-4;1-4-2-3-5(9-4)6(7)8;1-4-2-5(6(7)8)9-3-4;1-4-2-3-5(9-4)6(7)8;1-3-7-2-4(8-3)5(6)9;1-3-2-7-5(8-3)4(6)9;1-3-7-2-4(9-3)5(6)8;1-3-2-7-5(9-3)4(6)8;1-3-7-2-4(9-3)5(6)8;1-3-2-7-5(9-3)4(6)8/h2*2-3,8H,1H3,(H2,7,9);4*2-3H,1H3,(H2,7,8);2*2H,1H3,(H2,6,9)(H,7,8);4*2H,1H3,(H2,6,8).
What are the key properties of 4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide?
4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide has a molecular weight of 1567.79 g/mol, XLogP of 5.43, 12 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylfuran-2-carboxamide;5-methylfuran-2-carboxamide;2-methyl-1H-imidazole-5-carboxamide;5-methyl-1H-imidazole-2-carboxamide;2-methyl-1,3-oxazole-5-carboxamide;5-methyl-1,3-oxazole-2-carboxamide;4-methyl-1H-pyrrole-2-carboxamide;5-methyl-1H-pyrrole-2-carboxamide;2-methyl-1,3-thiazole-5-carboxamide;5-methyl-1,3-thiazole-2-carboxamide;4-methylthiophene-2-carboxamide;5-methylthiophene-2-carboxamide is sourced from PubChem (CID 158759122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).