3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide

C15H13N3O2 — CID 81171002

IUPAC3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)NCc1ccon1
InChIInChI=1S/C15H13N3O2/c16-14-8-11-4-2-1-3-10(11)7-13(14)15(19)17-9-12-5-6-20-18-12/h1-8H,9,16H2,(H,17,19)
InChIKeyHCLWWRPTUWNSKW-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.34
Rot. Bonds3

About 3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide

3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide (PubChem CID 81171002) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide
PubChem CID81171002
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide
SMILESNc1cc2ccccc2cc1C(=O)NCc1ccon1
InChIInChI=1S/C15H13N3O2/c16-14-8-11-4-2-1-3-10(11)7-13(14)15(19)17-9-12-5-6-20-18-12/h1-8H,9,16H2,(H,17,19)
InChIKeyHCLWWRPTUWNSKW-UHFFFAOYSA-N
XLogP2.34
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide?
The IUPAC name of 3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide (CID 81171002) is 3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide is Nc1cc2ccccc2cc1C(=O)NCc1ccon1.
What is the InChIKey of 3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide?
The InChIKey is HCLWWRPTUWNSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-14-8-11-4-2-1-3-10(11)7-13(14)15(19)17-9-12-5-6-20-18-12/h1-8H,9,16H2,(H,17,19).
What are the key properties of 3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide?
3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,2-oxazol-3-ylmethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 81171002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).