5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide

C16H14N4O4 — CID 58725196

IUPAC5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(NC(=O)c3cc(C)on3)c2)no1
InChIInChI=1S/C16H14N4O4/c1-9-6-13(19-23-9)15(21)17-11-4-3-5-12(8-11)18-16(22)14-7-10(2)24-20-14/h3-8H,1-2H3,(H,17,21)(H,18,22)
InChIKeyJIWGSSZQCDLXQD-UHFFFAOYSA-N
MW326.31 g/mol
LogP2.78
Rot. Bonds4

About 5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 58725196) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is 5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
PubChem CID58725196
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Name5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(NC(=O)c3cc(C)on3)c2)no1
InChIInChI=1S/C16H14N4O4/c1-9-6-13(19-23-9)15(21)17-11-4-3-5-12(8-11)18-16(22)14-7-10(2)24-20-14/h3-8H,1-2H3,(H,17,21)(H,18,22)
InChIKeyJIWGSSZQCDLXQD-UHFFFAOYSA-N
XLogP2.78
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(dimethylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 86931949
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
N-[3-(diethylcarbamoyl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51148639
N-[3-[(cyclopropylamino)methyl]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 106910888
5-methyl-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]-1,2-oxazole-3-carboxamide
CID 47164595
N-(3-amino-4-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 66156908
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-3-(3-methylphenyl)thiourea
CID 843903
N-(2-hydroxy-6-methylphenyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 163522026
2-hydroxy-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 28777043
N-(1,3-benzodioxol-5-yl)-5-methyl-1,2-oxazole-3-carboxamide
CID 4078365
2-chloro-4-[(5-methyl-1,2-oxazole-3-carbonyl)amino]benzoic acid
CID 61398577
N-dibenzofuran-2-yl-5-methyl-1,2-oxazole-3-carboxamide
CID 17430004

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide (CID 58725196) is 5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2cccc(NC(=O)c3cc(C)on3)c2)no1.
What is the InChIKey of 5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JIWGSSZQCDLXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-9-6-13(19-23-9)15(21)17-11-4-3-5-12(8-11)18-16(22)14-7-10(2)24-20-14/h3-8H,1-2H3,(H,17,21)(H,18,22).
What are the key properties of 5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 326.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 58725196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).