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

C23H15N3O2 — CID 1114177

IUPACN-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccnc1
InChIInChI=1S/C23H15N3O2/c27-22(18-6-3-11-24-14-18)25-19-9-10-21-20(13-19)26-23(28-21)17-8-7-15-4-1-2-5-16(15)12-17/h1-14H,(H,25,27)
InChIKeyPCHKXRKYTYTKKE-UHFFFAOYSA-N
MW365.39 g/mol
LogP5.30
Rot. Bonds3

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

N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (PubChem CID 1114177) has the molecular formula C23H15N3O2 and a molecular weight of 365.39 g/mol. Its IUPAC name is N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
PubChem CID1114177
Molecular FormulaC23H15N3O2
Molecular Weight365.39 g/mol
Exact Mass365.12
IUPAC NameN-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccnc1
InChIInChI=1S/C23H15N3O2/c27-22(18-6-3-11-24-14-18)25-19-9-10-21-20(13-19)26-23(28-21)17-8-7-15-4-1-2-5-16(15)12-17/h1-14H,(H,25,27)
InChIKeyPCHKXRKYTYTKKE-UHFFFAOYSA-N
XLogP5.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.39
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 743077
N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 17127588
N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 778969
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 645017
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
2,2-dimethyl-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)propanamide
CID 17101730
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567
N-(3-benzo[e][1,3]benzoxazol-2-ylphenyl)pyridine-3-carboxamide
CID 5109367
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]pyridine-3-carboxamide
CID 4088215
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]naphthalene-2-carboxamide;hydrate
CID 21211890

Frequently Asked Questions

What is the IUPAC name of N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide (CID 1114177) is N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide is O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccnc1.
What is the InChIKey of N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
The InChIKey is PCHKXRKYTYTKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15N3O2/c27-22(18-6-3-11-24-14-18)25-19-9-10-21-20(13-19)26-23(28-21)17-8-7-15-4-1-2-5-16(15)12-17/h1-14H,(H,25,27).
What are the key properties of N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide?
N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide is sourced from PubChem (CID 1114177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).