N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide

C25H17N3O2 — CID 2217662

IUPACN-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1cccnc1
InChIInChI=1S/C25H17N3O2/c29-24(20-7-4-14-26-16-20)27-21-12-13-23-22(15-21)28-25(30-23)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-16H,(H,27,29)
InChIKeyNRCPJZHSJBDYKY-UHFFFAOYSA-N
MW391.43 g/mol
LogP5.81
Rot. Bonds4

About N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide

N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide (PubChem CID 2217662) has the molecular formula C25H17N3O2 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
PubChem CID2217662
Molecular FormulaC25H17N3O2
Molecular Weight391.43 g/mol
Exact Mass391.13
IUPAC NameN-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1cccnc1
InChIInChI=1S/C25H17N3O2/c29-24(20-7-4-14-26-16-20)27-21-12-13-23-22(15-21)28-25(30-23)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-16H,(H,27,29)
InChIKeyNRCPJZHSJBDYKY-UHFFFAOYSA-N
XLogP5.81
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.43
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 1114177
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
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 743077
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 645017
3-fluoro-N-(2-pyridin-3-yl-1,3-benzoxazol-5-yl)benzamide
CID 2996567
N-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]benzamide
CID 746929
(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamic acid
CID 175414286
N-[3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-phenylbenzamide
CID 29130005
N-(2-phenyl-1,3-benzoxazol-5-yl)-3-propan-2-yloxybenzamide
CID 15997458
2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 4663208

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide (CID 2217662) is N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide is O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1cccnc1.
What is the InChIKey of N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
The InChIKey is NRCPJZHSJBDYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17N3O2/c29-24(20-7-4-14-26-16-20)27-21-12-13-23-22(15-21)28-25(30-23)19-10-8-18(9-11-19)17-5-2-1-3-6-17/h1-16H,(H,27,29).
What are the key properties of N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide?
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide is sourced from PubChem (CID 2217662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).