1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide

C21H21N3O4 — CID 109055500

IUPAC1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2cccc(C(=O)Nc3cc(C)on3)c2)c1
InChIInChI=1S/C21H21N3O4/c1-14-11-19(24-28-14)23-21(26)17-7-4-6-16(13-17)20(25)22-10-9-15-5-3-8-18(12-15)27-2/h3-8,11-13H,9-10H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyMVTQUGUKVIYKAI-UHFFFAOYSA-N
MW379.42 g/mol
LogP3.22
Rot. Bonds7

About 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide

1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide (PubChem CID 109055500) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
PubChem CID109055500
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
SMILESCOc1cccc(CCNC(=O)c2cccc(C(=O)Nc3cc(C)on3)c2)c1
InChIInChI=1S/C21H21N3O4/c1-14-11-19(24-28-14)23-21(26)17-7-4-6-16(13-17)20(25)22-10-9-15-5-3-8-18(12-15)27-2/h3-8,11-13H,9-10H2,1-2H3,(H,22,25)(H,23,24,26)
InChIKeyMVTQUGUKVIYKAI-UHFFFAOYSA-N
XLogP3.22
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-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

1-N-(3-methoxyphenyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109057638
1-N-(3-methoxypropyl)-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109052820
3-N-(2-methoxyethyl)-1-N-[2-(3-methoxyphenyl)ethyl]benzene-1,3-dicarboxamide
CID 109052520
1-N-butyl-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide
CID 109051241
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(3-methylbutyl)benzene-1,3-dicarboxamide
CID 109055482
4-chloro-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 113098173
1-N-[2-(3-methoxyphenyl)ethyl]-4-N-phenylbenzene-1,4-dicarboxamide
CID 109048051
N-[2-(3-methoxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 155530519
N-ethyl-3-methoxy-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]benzamide
CID 814442
N-[2-(3-methoxyphenyl)ethyl]furan-3-carboxamide
CID 47041893
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110387937
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide (CID 109055500) is 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide is COc1cccc(CCNC(=O)c2cccc(C(=O)Nc3cc(C)on3)c2)c1.
What is the InChIKey of 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
The InChIKey is MVTQUGUKVIYKAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-11-19(24-28-14)23-21(26)17-7-4-6-16(13-17)20(25)22-10-9-15-5-3-8-18(12-15)27-2/h3-8,11-13H,9-10H2,1-2H3,(H,22,25)(H,23,24,26).
What are the key properties of 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide?
1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide has a molecular weight of 379.42 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(3-methoxyphenyl)ethyl]-3-N-(5-methyl-1,2-oxazol-3-yl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109055500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).