4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide

C12H13N3O2 — CID 62165645

IUPAC4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCNc1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C12H13N3O2/c1-8-7-11(15-17-8)14-12(16)9-3-5-10(13-2)6-4-9/h3-7,13H,1-2H3,(H,14,15,16)
InChIKeyCXNSLILUZAIRGW-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.28
Rot. Bonds3

About 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide

4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide (PubChem CID 62165645) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
PubChem CID62165645
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide
SMILESCNc1ccc(C(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C12H13N3O2/c1-8-7-11(15-17-8)14-12(16)9-3-5-10(13-2)6-4-9/h3-7,13H,1-2H3,(H,14,15,16)
InChIKeyCXNSLILUZAIRGW-UHFFFAOYSA-N
XLogP2.28
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-(3,4-dichlorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050241
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
N-[4-[(5-methyl-1,2-oxazol-3-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 2300970
1-N-(5-methyl-1,2-oxazol-3-yl)-4-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 109049837
1-N-(3-chloro-4-fluorophenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050037
1-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109050216
4-chloro-N-[4-[[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]amino]phenyl]benzamide
CID 47485721
1-N-(3-methylbutyl)-4-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,4-dicarboxamide
CID 109048706
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-pentylbenzene-1,4-dicarboxamide
CID 109048796
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832
5-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzamide
CID 62167041
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide (CID 62165645) is 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide is CNc1ccc(C(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
The InChIKey is CXNSLILUZAIRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-8-7-11(15-17-8)14-12(16)9-3-5-10(13-2)6-4-9/h3-7,13H,1-2H3,(H,14,15,16).
What are the key properties of 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide?
4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide has a molecular weight of 231.25 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(5-methyl-1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 62165645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).