N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide

C28H18N2O2 — CID 3117204

IUPACN-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1cccc2ccccc12
InChIInChI=1S/C28H18N2O2/c31-27(23-13-5-9-18-7-1-3-11-21(18)23)29-20-15-16-26-25(17-20)30-28(32-26)24-14-6-10-19-8-2-4-12-22(19)24/h1-17H,(H,29,31)
InChIKeyMSMGBHZJOXYDBQ-UHFFFAOYSA-N
MW414.46 g/mol
LogP7.05
Rot. Bonds3

About N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide

N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide (PubChem CID 3117204) has the molecular formula C28H18N2O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide
PubChem CID3117204
Molecular FormulaC28H18N2O2
Molecular Weight414.46 g/mol
Exact Mass414.14
IUPAC NameN-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide
SMILESO=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1cccc2ccccc12
InChIInChI=1S/C28H18N2O2/c31-27(23-13-5-9-18-7-1-3-11-21(18)23)29-20-15-16-26-25(17-20)30-28(32-26)24-14-6-10-19-8-2-4-12-22(19)24/h1-17H,(H,29,31)
InChIKeyMSMGBHZJOXYDBQ-UHFFFAOYSA-N
XLogP7.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 57.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)furan-2-carboxamide
CID 1142575
N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]naphthalene-1-carboxamide
CID 2840256
2-chloro-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1126393
3-chloro-4-methyl-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)benzamide
CID 3556146
2-fluoro-N-[2-(2-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2244594
[2-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)amino]-2-oxoethyl] thiocyanate
CID 91683582
2-bromo-N-[2-(2-chlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1322845
2,3,5,6-tetrafluoro-4-methoxy-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide
CID 17316597
2-chloro-N-[2-(2,5-dichlorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4623545
N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide
CID 17274838
2-(4-ethylphenoxy)-N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)acetamide
CID 4595683
2-chloro-N-[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]-5-nitrobenzamide
CID 17117135

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide?
The IUPAC name of N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide (CID 3117204) is N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide.
What is the SMILES notation for N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide?
The canonical SMILES for N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide is O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1cccc2ccccc12.
What is the InChIKey of N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide?
The InChIKey is MSMGBHZJOXYDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N2O2/c31-27(23-13-5-9-18-7-1-3-11-21(18)23)29-20-15-16-26-25(17-20)30-28(32-26)24-14-6-10-19-8-2-4-12-22(19)24/h1-17H,(H,29,31).
What are the key properties of N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide?
N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 7.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)naphthalene-1-carboxamide is sourced from PubChem (CID 3117204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).