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

C19H12ClN3O3 — CID 1389021

IUPACN-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1cccnc1
InChIInChI=1S/C19H12ClN3O3/c20-12-3-6-17-15(8-12)23-19(26-17)14-9-13(4-5-16(14)24)22-18(25)11-2-1-7-21-10-11/h1-10,24H,(H,22,25)
InChIKeyWIHRFNNSKIZHAF-UHFFFAOYSA-N
MW365.78 g/mol
LogP4.50
Rot. Bonds3

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

N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide (PubChem CID 1389021) has the molecular formula C19H12ClN3O3 and a molecular weight of 365.78 g/mol. Its IUPAC name is N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
PubChem CID1389021
Molecular FormulaC19H12ClN3O3
Molecular Weight365.78 g/mol
Exact Mass365.06
IUPAC NameN-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1cccnc1
InChIInChI=1S/C19H12ClN3O3/c20-12-3-6-17-15(8-12)23-19(26-17)14-9-13(4-5-16(14)24)22-18(25)11-2-1-7-21-10-11/h1-10,24H,(H,22,25)
InChIKeyWIHRFNNSKIZHAF-UHFFFAOYSA-N
XLogP4.50
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.78
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-ethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide
CID 135700297
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]pyridine-3-carboxamide
CID 4088215
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]furan-2-carboxamide
CID 1362861
N-[4-[(5-chloro-1,3-benzoxazol-2-yl)methyl]phenyl]pyridine-3-carboxamide
CID 54858852
2-chloro-N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-iodobenzamide
CID 3131494
N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 2217662
N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 17127588
N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)pyridine-3-carboxamide
CID 1114177
N-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 743077
3-chloro-N-[4-hydroxy-3-([1,3]oxazolo[4,5-c]pyridin-2-yl)phenyl]-4-methoxybenzamide
CID 135655445
N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 645017
3,5-dichloro-N-[4-(5-chloro-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-methoxybenzamide
CID 2281879

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide (CID 1389021) is N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide is O=C(Nc1ccc(O)c(-c2nc3cc(Cl)ccc3o2)c1)c1cccnc1.
What is the InChIKey of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide?
The InChIKey is WIHRFNNSKIZHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O3/c20-12-3-6-17-15(8-12)23-19(26-17)14-9-13(4-5-16(14)24)22-18(25)11-2-1-7-21-10-11/h1-10,24H,(H,22,25).
What are the key properties of N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide?
N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide has a molecular weight of 365.78 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-3-carboxamide is sourced from PubChem (CID 1389021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).