N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide

C18H15N3O3 — CID 43911460

IUPACN-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)on1
InChIInChI=1S/C18H15N3O3/c1-12-11-16(24-21-12)18(23)20-15-9-7-14(8-10-15)19-17(22)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,22)(H,20,23)
InChIKeyDCLSKCLNTCWNJV-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.49
Rot. Bonds4

About N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide

N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 43911460) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID43911460
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)on1
InChIInChI=1S/C18H15N3O3/c1-12-11-16(24-21-12)18(23)20-15-9-7-14(8-10-15)19-17(22)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,22)(H,20,23)
InChIKeyDCLSKCLNTCWNJV-UHFFFAOYSA-N
XLogP3.49
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911458
N-(4-carbamoylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 21432228
3-methyl-N-[3-(pyridine-4-carbonylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 39186715
3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911371
3-methyl-N-(2-phenylpyrimidin-5-yl)-1,2-oxazole-5-carboxamide
CID 134009492
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911455
3-methyl-N-(4-methylsulfanylphenyl)-1,2-oxazole-5-carboxamide
CID 16880199
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 75513517
(E)-3-[4-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]prop-2-enoic acid
CID 60749768
3-methyl-N-(3-phenoxyphenyl)-1,2-oxazole-5-carboxamide
CID 51204920
3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide
CID 43911461

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 43911460) is N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)on1.
What is the InChIKey of N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is DCLSKCLNTCWNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-12-11-16(24-21-12)18(23)20-15-9-7-14(8-10-15)19-17(22)13-5-3-2-4-6-13/h2-11H,1H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43911460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).