N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide

C15H12N2O2 — CID 1201665

IUPACN-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide
SMILESCc1cc(NC(=O)c2cccc3ccccc23)no1
InChIInChI=1S/C15H12N2O2/c1-10-9-14(17-19-10)16-15(18)13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,16,17,18)
InChIKeyBYUDYZAUSFBBMJ-UHFFFAOYSA-N
MW252.27 g/mol
LogP3.39
Rot. Bonds2

About N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide (PubChem CID 1201665) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide
PubChem CID1201665
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide
SMILESCc1cc(NC(=O)c2cccc3ccccc23)no1
InChIInChI=1S/C15H12N2O2/c1-10-9-14(17-19-10)16-15(18)13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,16,17,18)
InChIKeyBYUDYZAUSFBBMJ-UHFFFAOYSA-N
XLogP3.39
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide (CID 1201665) is N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide is Cc1cc(NC(=O)c2cccc3ccccc23)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide?
The InChIKey is BYUDYZAUSFBBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-10-9-14(17-19-10)16-15(18)13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H,16,17,18).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide has a molecular weight of 252.27 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 1201665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).