3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide

C16H14N2O2 — CID 770347

IUPAC3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H14N2O2/c1-10-15(11(2)20-18-10)16(19)17-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,19)
InChIKeyNSHVPOJDTHGDMP-UHFFFAOYSA-N
MW266.30 g/mol
LogP3.70
Rot. Bonds2

About 3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 770347) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID770347
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C16H14N2O2/c1-10-15(11(2)20-18-10)16(19)17-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,19)
InChIKeyNSHVPOJDTHGDMP-UHFFFAOYSA-N
XLogP3.70
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(1-naphthyl)-4-isoxazolecarboxamide
CID 850302
N-(2-fluoro-5-methylphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 975481
N-(4-cyanophenyl)-3,5-dimethylisoxazole-4-carboxamide
CID 2741509
N-{4-[(3,5-dimethylisoxazol-4-yl)carbonylamino]phenyl}acetamide
CID 4791027
N-[4-(diethylamino)phenyl]-3,5-dimethyl-4-isoxazolecarboxamide
CID 4791029
N-(4-cyanophenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 8145913
5-amino-N-(4-tert-butylphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 713960
3-(3-methyl-isoxazol-5-yl)-6-nitro-4-phenyl-1H-quinolin-2-one
CID 135489139
6-fluoro-3-(3-methyl-1,2-oxazol-5-yl)-4-phenyl-1H-quinolin-2-one
CID 135531166
N-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 3851617
N-(3-acetamidophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 649749
3,5-Dimethyl-isoxazole-4-carboxylic acid cyclohexylcarbamoylmethyl-m-tolyl-amide
CID 651038

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide (CID 770347) is 3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is NSHVPOJDTHGDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-10-15(11(2)20-18-10)16(19)17-14-8-7-12-5-3-4-6-13(12)9-14/h3-9H,1-2H3,(H,17,19).
What are the key properties of 3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 266.30 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-naphthalen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 770347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).