3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide

C15H17N3O3 — CID 43911360

IUPAC3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(=O)NC(C)C)on1
InChIInChI=1S/C15H17N3O3/c1-9(2)16-14(19)11-6-4-5-7-12(11)17-15(20)13-8-10(3)18-21-13/h4-9H,1-3H3,(H,16,19)(H,17,20)
InChIKeyGAXUIRYTPAHWKT-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.37
Rot. Bonds4

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

3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide (PubChem CID 43911360) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
PubChem CID43911360
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(=O)NC(C)C)on1
InChIInChI=1S/C15H17N3O3/c1-9(2)16-14(19)11-6-4-5-7-12(11)17-15(20)13-8-10(3)18-21-13/h4-9H,1-3H3,(H,16,19)(H,17,20)
InChIKeyGAXUIRYTPAHWKT-UHFFFAOYSA-N
XLogP2.37
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide
CID 34746741
3-methyl-N-[2-(piperidine-1-carbonyl)phenyl]-1,2-oxazole-5-carboxamide
CID 35277906
N-(2-aminophenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 43600005
N-[2-[(2-benzoyl-4-methylphenyl)carbamoyl]phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880182
N-(2-ethylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 7669432
N-(3-hydroxy-2-methylphenyl)-3-methyl-1,2-oxazole-5-carboxamide
CID 64793807
N-[4-chloro-2-(2-chlorobenzoyl)phenyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 16880181
N'-(2-hydroxybenzoyl)-3-methyl-1,2-oxazole-5-carbohydrazide
CID 51250800
2-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenoxy]acetic acid
CID 63747201
3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide
CID 43911392
2-(2-methylpropanoylamino)-N-propan-2-ylbenzamide
CID 34564562
3-[2-[(3-methyl-1,2-oxazole-5-carbonyl)amino]phenyl]propanoic acid
CID 107272302

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide (CID 43911360) is 3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)Nc2ccccc2C(=O)NC(C)C)on1.
What is the InChIKey of 3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide?
The InChIKey is GAXUIRYTPAHWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9(2)16-14(19)11-6-4-5-7-12(11)17-15(20)13-8-10(3)18-21-13/h4-9H,1-3H3,(H,16,19)(H,17,20).
What are the key properties of 3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide?
3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(propan-2-ylcarbamoyl)phenyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 43911360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).