N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide

C16H20N2O2 — CID 110679061

IUPACN-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCc1cocn1
InChIInChI=1S/C16H20N2O2/c1-11(2)14-6-4-5-12(3)16(14)18-15(19)8-7-13-9-20-10-17-13/h4-6,9-11H,7-8H2,1-3H3,(H,18,19)
InChIKeyQAYRPBMUICEINB-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.68
Rot. Bonds5

About N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide

N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide (PubChem CID 110679061) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide
PubChem CID110679061
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide
SMILESCc1cccc(C(C)C)c1NC(=O)CCc1cocn1
InChIInChI=1S/C16H20N2O2/c1-11(2)14-6-4-5-12(3)16(14)18-15(19)8-7-13-9-20-10-17-13/h4-6,9-11H,7-8H2,1-3H3,(H,18,19)
InChIKeyQAYRPBMUICEINB-UHFFFAOYSA-N
XLogP3.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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N-(2-methyl-6-propan-2-ylphenyl)decanamide
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N-[(2-methylphenyl)methyl]-3-(1,3-oxazol-4-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide?
The IUPAC name of N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide (CID 110679061) is N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide.
What is the SMILES notation for N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide?
The canonical SMILES for N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide is Cc1cccc(C(C)C)c1NC(=O)CCc1cocn1.
What is the InChIKey of N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide?
The InChIKey is QAYRPBMUICEINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11(2)14-6-4-5-12(3)16(14)18-15(19)8-7-13-9-20-10-17-13/h4-6,9-11H,7-8H2,1-3H3,(H,18,19).
What are the key properties of N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide?
N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide has a molecular weight of 272.35 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-6-propan-2-ylphenyl)-3-(1,3-oxazol-4-yl)propanamide is sourced from PubChem (CID 110679061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).