N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide

C21H17N3O3 — CID 135765722

IUPACN-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide
SMILESCc1cc(C)c2oc(-c3cc(NC(=O)c4ccncc4)ccc3O)nc2c1
InChIInChI=1S/C21H17N3O3/c1-12-9-13(2)19-17(10-12)24-21(27-19)16-11-15(3-4-18(16)25)23-20(26)14-5-7-22-8-6-14/h3-11,25H,1-2H3,(H,23,26)
InChIKeyFQFHRBZEKIYKBN-UHFFFAOYSA-N
MW359.39 g/mol
LogP4.46
Rot. Bonds3

About N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide

N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide (PubChem CID 135765722) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide
PubChem CID135765722
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC NameN-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide
SMILESCc1cc(C)c2oc(-c3cc(NC(=O)c4ccncc4)ccc3O)nc2c1
InChIInChI=1S/C21H17N3O3/c1-12-9-13(2)19-17(10-12)24-21(27-19)16-11-15(3-4-18(16)25)23-20(26)14-5-7-22-8-6-14/h3-11,25H,1-2H3,(H,23,26)
InChIKeyFQFHRBZEKIYKBN-UHFFFAOYSA-N
XLogP4.46
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.46
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-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2-fluorobenzamide
CID 135610414
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]pyridine-3-carboxamide
CID 135447235
2,3,5-tribromo-N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]benzamide
CID 135765629
N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-3,5-dimethylbenzamide
CID 19631384
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-2,4-dimethoxybenzamide
CID 135645410
N-[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]acetamide
CID 711630
N-[4-chloro-3-(5,7-dimethyl-1,3-benzoxazol-2-yl)phenyl]-4-ethylbenzamide
CID 17018338
3-bromo-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]benzamide
CID 135775843
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 135645411
3,5-dichloro-N-[[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]carbamothioyl]-2-methoxybenzamide
CID 137118511
N-[[4-(5,7-dimethyl-1,3-benzoxazol-2-yl)-3-hydroxyphenyl]carbamothioyl]-3,4-dimethylbenzamide
CID 135717985
N-[5-(5,7-dimethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]-4-methylbenzamide
CID 1334018

Frequently Asked Questions

What is the IUPAC name of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide (CID 135765722) is N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide is Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccncc4)ccc3O)nc2c1.
What is the InChIKey of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide?
The InChIKey is FQFHRBZEKIYKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-12-9-13(2)19-17(10-12)24-21(27-19)16-11-15(3-4-18(16)25)23-20(26)14-5-7-22-8-6-14/h3-11,25H,1-2H3,(H,23,26).
What are the key properties of N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide?
N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 4.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5,7-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 135765722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).