1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide

C15H17N3O3 — CID 109050664

IUPAC1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCc1cc(NC(=O)c2cccc(C(=O)NC(C)C)c2)no1
InChIInChI=1S/C15H17N3O3/c1-9(2)16-14(19)11-5-4-6-12(8-11)15(20)17-13-7-10(3)21-18-13/h4-9H,1-3H3,(H,16,19)(H,17,18,20)
InChIKeyPZFUQLBSPAHOHS-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.37
Rot. Bonds4

About 1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide

1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide (PubChem CID 109050664) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
PubChem CID109050664
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
SMILESCc1cc(NC(=O)c2cccc(C(=O)NC(C)C)c2)no1
InChIInChI=1S/C15H17N3O3/c1-9(2)16-14(19)11-5-4-6-12(8-11)15(20)17-13-7-10(3)21-18-13/h4-9H,1-3H3,(H,16,19)(H,17,18,20)
InChIKeyPZFUQLBSPAHOHS-UHFFFAOYSA-N
XLogP2.37
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-tert-butyl-1-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109056093
N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 569560
1-N-(3-methoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057638
1-N-(4-ethoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057672
1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109052820
1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109051241
N-(5-methyl-1,2-oxazol-3-yl)-3-nitrobenzamide
CID 872142
N-(5-methyl-1,2-oxazol-3-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1087733
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109055500
3-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)benzamide
CID 7542035
1-N-(2,3-dimethylphenyl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide
CID 109050570
N-(5-methyl-1,2-oxazol-3-yl)-3-phenacylsulfanylbenzamide
CID 84552661

Frequently Asked Questions

What is the IUPAC name of 1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The IUPAC name of 1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide (CID 109050664) is 1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide is Cc1cc(NC(=O)c2cccc(C(=O)NC(C)C)c2)no1.
What is the InChIKey of 1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
The InChIKey is PZFUQLBSPAHOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9(2)16-14(19)11-5-4-6-12(8-11)15(20)17-13-7-10(3)21-18-13/h4-9H,1-3H3,(H,16,19)(H,17,18,20).
What are the key properties of 1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide?
1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(5-methyl-1,2-oxazol-3-yl)-3-N-propan-2-ylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 109050664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).