5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide

C17H16N2O2 — CID 46087304

IUPAC5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc3ccccc3c2)on1
InChIInChI=1S/C17H16N2O2/c1-11(2)18-17(20)15-10-16(21-19-15)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,18,20)
InChIKeyROZHGUIDCRJJKO-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.63
Rot. Bonds3

About 5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide

5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 46087304) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID46087304
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc3ccccc3c2)on1
InChIInChI=1S/C17H16N2O2/c1-11(2)18-17(20)15-10-16(21-19-15)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,18,20)
InChIKeyROZHGUIDCRJJKO-UHFFFAOYSA-N
XLogP3.63
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-methylphenyl)methyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 46092588
azocan-1-yl-(5-naphthalen-2-yl-1,2-oxazol-3-yl)methanone
CID 46087244
5-(4-methoxyphenyl)-N-(1-methoxypropan-2-yl)-1,2-oxazole-3-carboxamide
CID 5016615
N-[2-morpholin-4-yl-2-(4-propan-2-ylphenyl)ethyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 139582697
N-pentan-2-yl-5-phenyl-1,2-oxazole-3-carboxamide
CID 133149969
N-[(5-naphthalen-2-yl-1,2-oxazol-3-yl)methyl]-2-phenoxypropanamide
CID 16867418
5-(1H-indazol-5-yl)-N-[(1S)-1-naphthalen-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 68990785
5-(3,4-dimethylphenyl)-N-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 172898296
N-[5-(naphthalene-1-carbonylamino)-4-phenyl-1,3-thiazol-2-yl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 163347634
N-[2-[(2-fluorophenyl)methylsulfanyl]phenyl]-5-naphthalen-2-yl-1,2-oxazole-3-carboxamide
CID 171703886
5-(4-methylphenyl)-N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-1,2-oxazole-3-carboxamide
CID 118984655
N-[(1R)-1-(3-methoxyphenyl)ethyl]-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 46087211

Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide (CID 46087304) is 5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)NC(=O)c1cc(-c2ccc3ccccc3c2)on1.
What is the InChIKey of 5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is ROZHGUIDCRJJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-11(2)18-17(20)15-10-16(21-19-15)14-8-7-12-5-3-4-6-13(12)9-14/h3-11H,1-2H3,(H,18,20).
What are the key properties of 5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide?
5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-N-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46087304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).