N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide

C27H25N3O4 — CID 60618248

IUPACN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C27H25N3O4/c1-3-30(18-25(31)29-20-12-9-13-21(16-20)33-2)27(32)23-15-8-7-14-22(23)26-28-17-24(34-26)19-10-5-4-6-11-19/h4-17H,3,18H2,1-2H3,(H,29,31)
InChIKeyWVIMOLMVZFENMO-UHFFFAOYSA-N
MW455.51 g/mol
LogP5.12
Rot. Bonds8

About N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide (PubChem CID 60618248) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide.

Molecular Properties

Compound NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
PubChem CID60618248
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC NameN-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
SMILESCCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C27H25N3O4/c1-3-30(18-25(31)29-20-12-9-13-21(16-20)33-2)27(32)23-15-8-7-14-22(23)26-28-17-24(34-26)19-10-5-4-6-11-19/h4-17H,3,18H2,1-2H3,(H,29,31)
InChIKeyWVIMOLMVZFENMO-UHFFFAOYSA-N
XLogP5.12
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 34777669
N-ethyl-2-ethylsulfonyl-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55383995
N-ethyl-2,3,4-trimethoxy-N-[2-(3-methoxyanilino)-2-oxoethyl]benzamide
CID 55344386
N-(cyclopropylmethyl)-N-ethyl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 86939454
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 31927716
N-(4-ethoxyphenyl)-2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]benzamide
CID 100500843
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55344293
2-[ethyl-(2-phenoxyacetyl)amino]-N-(3-methoxyphenyl)acetamide
CID 9094787
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
CID 100509744
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
CID 100513460
2-[5-(2,4-dimethoxyphenyl)-1,3-oxazol-2-yl]-N-(3-methoxyphenyl)benzamide
CID 100507572
2-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)benzamide
CID 100500293

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The IUPAC name of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide (CID 60618248) is N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide.
What is the SMILES notation for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The canonical SMILES for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide is CCN(CC(=O)Nc1cccc(OC)c1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1.
What is the InChIKey of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The InChIKey is WVIMOLMVZFENMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-3-30(18-25(31)29-20-12-9-13-21(16-20)33-2)27(32)23-15-8-7-14-22(23)26-28-17-24(34-26)19-10-5-4-6-11-19/h4-17H,3,18H2,1-2H3,(H,29,31).
What are the key properties of N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide has a molecular weight of 455.51 g/mol, XLogP of 5.12, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 60618248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).