N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

C19H17N3O3 — CID 87006047

IUPACN-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C(N)=O)on2)cc1
InChIInChI=1S/C19H17N3O3/c1-11-6-8-13(9-7-11)15-10-16(25-22-15)19(24)21-14-5-3-4-12(2)17(14)18(20)23/h3-10H,1-2H3,(H2,20,23)(H,21,24)
InChIKeyDIZRQWDGKGMUIQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.31
Rot. Bonds4

About N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 87006047) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID87006047
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C(N)=O)on2)cc1
InChIInChI=1S/C19H17N3O3/c1-11-6-8-13(9-7-11)15-10-16(25-22-15)19(24)21-14-5-3-4-12(2)17(14)18(20)23/h3-10H,1-2H3,(H2,20,23)(H,21,24)
InChIKeyDIZRQWDGKGMUIQ-UHFFFAOYSA-N
XLogP3.31
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(Z)-N'-hydroxycarbamimidoyl]-3-methylphenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 107800749
N-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 119041204
N-(3-fluorophenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427554
N-(2,4-dimethylphenyl)-3-(3-fluorophenyl)-1,2-oxazole-5-carboxamide
CID 46471110
N-(5-bromo-1-methyl-2-oxo-3-pyridinyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 99818074
N-(2,4-dimethoxyphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427832
N-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 99695437
N-[5-(cyclopropylcarbamoyl)-2-methylphenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55786487
3-(4-methylphenyl)-N-methylsulfonyl-1,2-oxazole-5-carboxamide
CID 47269641
N-[4-chloro-2-(furan-2-carbonylamino)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55933881
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
N-[3-(tert-butylsulfamoyl)phenyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 55668639

Frequently Asked Questions

What is the IUPAC name of N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 87006047) is N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)Nc3cccc(C)c3C(N)=O)on2)cc1.
What is the InChIKey of N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is DIZRQWDGKGMUIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-11-6-8-13(9-7-11)15-10-16(25-22-15)19(24)21-14-5-3-4-12(2)17(14)18(20)23/h3-10H,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-carbamoyl-3-methylphenyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 87006047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).