N-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

C18H16N2O2 — CID 850381

IUPACN-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1onc2c1CCCC2
InChIInChI=1S/C18H16N2O2/c21-18(17-14-9-3-4-10-16(14)20-22-17)19-15-11-5-7-12-6-1-2-8-13(12)15/h1-2,5-8,11H,3-4,9-10H2,(H,19,21)
InChIKeyHZTHLNSSPBRDRX-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.96
Rot. Bonds2

About N-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide

N-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (PubChem CID 850381) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
PubChem CID850381
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide
SMILESO=C(Nc1cccc2ccccc12)c1onc2c1CCCC2
InChIInChI=1S/C18H16N2O2/c21-18(17-14-9-3-4-10-16(14)20-22-17)19-15-11-5-7-12-6-1-2-8-13(12)15/h1-2,5-8,11H,3-4,9-10H2,(H,19,21)
InChIKeyHZTHLNSSPBRDRX-UHFFFAOYSA-N
XLogP3.96
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The IUPAC name of N-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide (CID 850381) is N-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is O=C(Nc1cccc2ccccc12)c1onc2c1CCCC2.
What is the InChIKey of N-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
The InChIKey is HZTHLNSSPBRDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18(17-14-9-3-4-10-16(14)20-22-17)19-15-11-5-7-12-6-1-2-8-13(12)15/h1-2,5-8,11H,3-4,9-10H2,(H,19,21).
What are the key properties of N-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide?
N-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-4,5,6,7-tetrahydro-2,1-benzoxazole-3-carboxamide is sourced from PubChem (CID 850381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).