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

C21H16N2O2 — CID 71895813

IUPACN-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)no1)c1cccc2ccccc12
InChIInChI=1S/C21H16N2O2/c24-21(19-12-6-10-15-7-4-5-11-18(15)19)22-14-17-13-20(23-25-17)16-8-2-1-3-9-16/h1-13H,14H2,(H,22,24)
InChIKeyPEWVCBZUOPLWOX-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.42
Rot. Bonds4

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

N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide (PubChem CID 71895813) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
PubChem CID71895813
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC NameN-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide
SMILESO=C(NCc1cc(-c2ccccc2)no1)c1cccc2ccccc12
InChIInChI=1S/C21H16N2O2/c24-21(19-12-6-10-15-7-4-5-11-18(15)19)22-14-17-13-20(23-25-17)16-8-2-1-3-9-16/h1-13H,14H2,(H,22,24)
InChIKeyPEWVCBZUOPLWOX-UHFFFAOYSA-N
XLogP4.42
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(4-phenyl-1,3-thiazol-2-yl)phenyl]methyl]naphthalene-1-carboxamide
CID 108761369
N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 166264253
6-(4-methylphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 146081561
2-[(3-phenyl-1,2-oxazol-5-yl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120977205
3-(3-methoxyphenyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 70760747
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]-2-[(prop-2-enoylamino)methyl]benzamide
CID 166422279
1-tert-butyl-5-methyl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-3-carboxamide
CID 47056333
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]pyridine-2-carboxamide
CID 46949493
2-cyclopent-2-en-1-yl-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]acetamide
CID 71941652
N-(furan-2-ylmethyl)-2-phenylquinoline-4-carboxamide
CID 2188237
N-[[3-(3-chlorophenyl)-1,2-oxazol-5-yl]methyl]quinoxaline-2-carboxamide
CID 91795068
N-[[3-(3-bromophenyl)-1,2-oxazol-5-yl]methyl]cyclopenta-1,3-diene-1-carboxamide
CID 130347905

Frequently Asked Questions

What is the IUPAC name of N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide?
The IUPAC name of N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide (CID 71895813) is N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide?
The canonical SMILES for N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide is O=C(NCc1cc(-c2ccccc2)no1)c1cccc2ccccc12.
What is the InChIKey of N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide?
The InChIKey is PEWVCBZUOPLWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-21(19-12-6-10-15-7-4-5-11-18(15)19)22-14-17-13-20(23-25-17)16-8-2-1-3-9-16/h1-13H,14H2,(H,22,24).
What are the key properties of N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide?
N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-phenyl-1,2-oxazol-5-yl)methyl]naphthalene-1-carboxamide is sourced from PubChem (CID 71895813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).