5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide

C14H15N3O2 — CID 165343278

IUPAC5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide
SMILESCC(C)=NNC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C14H15N3O2/c1-9(2)15-16-14(18)12-10(3)19-17-13(12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,16,18)
InChIKeyRDAGZVJRQOVCBE-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.78
Rot. Bonds3

About 5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide (PubChem CID 165343278) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide
PubChem CID165343278
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide
SMILESCC(C)=NNC(=O)c1c(-c2ccccc2)noc1C
InChIInChI=1S/C14H15N3O2/c1-9(2)15-16-14(18)12-10(3)19-17-13(12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,16,18)
InChIKeyRDAGZVJRQOVCBE-UHFFFAOYSA-N
XLogP2.78
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(methanesulfonamido)phenyl]ethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1000404
5-methyl-3-phenyl-N-[[(E)-3-phenylprop-2-enylidene]amino]-1,2-oxazole-4-carboxamide
CID 16745878
N-[(Z)-furan-2-ylmethylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 5372739
N-[(4-bromophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1219034
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221
5-methyl-N-(1,2-oxazol-3-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1244977
5-methyl-N'-(2-methylfuran-3-carbonyl)-3-phenyl-1,2-oxazole-4-carbohydrazide
CID 7809111
N-[(3-chlorophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1219053
N-[(2,3-dichlorophenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 3302344
tert-butyl 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate
CID 10753766
N-[(Z)-(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 136712993
2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 119249512

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide (CID 165343278) is 5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide is CC(C)=NNC(=O)c1c(-c2ccccc2)noc1C.
What is the InChIKey of 5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide?
The InChIKey is RDAGZVJRQOVCBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9(2)15-16-14(18)12-10(3)19-17-13(12)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,16,18).
What are the key properties of 5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 165343278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).