N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide

C16H16N2O3S — CID 146074982

IUPACN-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccc(-c3c(C)noc3C)o2)c1
InChIInChI=1S/C16H16N2O3S/c1-9-6-14(22-8-9)16(19)17-7-12-4-5-13(20-12)15-10(2)18-21-11(15)3/h4-6,8H,7H2,1-3H3,(H,17,19)
InChIKeyNWKYBTPFEMUPFQ-UHFFFAOYSA-N
MW316.38 g/mol
LogP3.85
Rot. Bonds4

About N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide

N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide (PubChem CID 146074982) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide
PubChem CID146074982
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide
SMILESCc1csc(C(=O)NCc2ccc(-c3c(C)noc3C)o2)c1
InChIInChI=1S/C16H16N2O3S/c1-9-6-14(22-8-9)16(19)17-7-12-4-5-13(20-12)15-10(2)18-21-11(15)3/h4-6,8H,7H2,1-3H3,(H,17,19)
InChIKeyNWKYBTPFEMUPFQ-UHFFFAOYSA-N
XLogP3.85
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide with MolForge

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Related Compounds

N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 146075244
N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-N'-phenyloxamide
CID 146080882
1-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-3-(2-methoxyphenyl)urea
CID 146080768
N-(2-chloroprop-2-enyl)-4-methylthiophene-2-carboxamide
CID 130835210
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methyl-1-benzofuran-2-carboxamide
CID 112528579
4-methyl-N-[2-(triazol-2-yl)ethyl]thiophene-2-carboxamide
CID 121177066
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 39948526
3-(2-chlorophenyl)-5-methyl-N-[(5-thiophen-2-ylfuran-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 122264336
5-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]thiophene-2-carboxamide
CID 91888242
4-methyl-N-[(1-methyl-5-thiophen-2-ylpyrazol-3-yl)methyl]thiophene-2-carboxamide
CID 71797381
5-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-benzothiophene-2-carboxamide
CID 79223728
4-chloro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]benzamide
CID 16571962

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide?
The IUPAC name of N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide (CID 146074982) is N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide is Cc1csc(C(=O)NCc2ccc(-c3c(C)noc3C)o2)c1.
What is the InChIKey of N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide?
The InChIKey is NWKYBTPFEMUPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-9-6-14(22-8-9)16(19)17-7-12-4-5-13(20-12)15-10(2)18-21-11(15)3/h4-6,8H,7H2,1-3H3,(H,17,19).
What are the key properties of N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide?
N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)furan-2-yl]methyl]-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 146074982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).