3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide

C19H17N3O3 — CID 43911461

IUPAC3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)on1
InChIInChI=1S/C19H17N3O3/c1-13-10-17(25-22-13)19(24)21-16-9-5-8-15(12-16)20-18(23)11-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyKKYGHYSRJDISHX-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.42
Rot. Bonds5

About 3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide

3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 43911461) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide
PubChem CID43911461
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)on1
InChIInChI=1S/C19H17N3O3/c1-13-10-17(25-22-13)19(24)21-16-9-5-8-15(12-16)20-18(23)11-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyKKYGHYSRJDISHX-UHFFFAOYSA-N
XLogP3.42
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.42
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-[3-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63254601
3-methyl-N-(3-phenoxyphenyl)-1,2-oxazole-5-carboxamide
CID 51204920
3-methyl-N-[3-(pyridine-4-carbonylamino)phenyl]-1,2-oxazole-5-carboxamide
CID 39186715
N-(3-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 16606648
N-(4-benzamidophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43911460
N-[3-[(4-tert-butylbenzoyl)amino]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911455
N-[3-[ethyl(phenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 43911446
N-[4-(aminomethyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 104954922
N-[3-(N'-hydroxycarbamimidoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 76930098
3-methyl-N-[4-(2-phenoxyethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911371
N-[3-(3-aminoprop-1-ynyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 60802743

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide (CID 43911461) is 3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2cccc(NC(=O)Cc3ccccc3)c2)on1.
What is the InChIKey of 3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is KKYGHYSRJDISHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-13-10-17(25-22-13)19(24)21-16-9-5-8-15(12-16)20-18(23)11-14-6-3-2-4-7-14/h2-10,12H,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[(2-phenylacetyl)amino]phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43911461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).