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

C20H15N3O3 — CID 25187792

IUPACN-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4ccncc4)ccc3o2)cc1
InChIInChI=1S/C20H15N3O3/c1-25-16-5-2-14(3-6-16)20-23-17-12-15(4-7-18(17)26-20)22-19(24)13-8-10-21-11-9-13/h2-12H,1H3,(H,22,24)
InChIKeyUUMDNQXATUIWID-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.15
Rot. Bonds4

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

N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide (PubChem CID 25187792) has the molecular formula C20H15N3O3 and a molecular weight of 345.36 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
PubChem CID25187792
Molecular FormulaC20H15N3O3
Molecular Weight345.36 g/mol
Exact Mass345.11
IUPAC NameN-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide
SMILESCOc1ccc(-c2nc3cc(NC(=O)c4ccncc4)ccc3o2)cc1
InChIInChI=1S/C20H15N3O3/c1-25-16-5-2-14(3-6-16)20-23-17-12-15(4-7-18(17)26-20)22-19(24)13-8-10-21-11-9-13/h2-12H,1H3,(H,22,24)
InChIKeyUUMDNQXATUIWID-UHFFFAOYSA-N
XLogP4.15
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 5017384
4-ethyl-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 29243131
4-methoxy-N-(2-naphthalen-2-yl-1,3-benzoxazol-5-yl)benzamide
CID 1326852
3,4-dichloro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 1338100
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]acetamide
CID 1146260
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]-4-(2-methylpropoxy)benzamide
CID 1015710
2,3,4,5,6-pentafluoro-N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 4135318
3,5-dimethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127524
N-[4-[5-[(3,4-dimethoxybenzoyl)amino]-1,3-benzoxazol-2-yl]phenyl]-3,4-dimethoxybenzamide
CID 53356241
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
N-[4-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]-4-(2-methylpropoxy)benzamide
CID 3969096
N-[3-(5-methoxy-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 953822

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide (CID 25187792) is N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide is COc1ccc(-c2nc3cc(NC(=O)c4ccncc4)ccc3o2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide?
The InChIKey is UUMDNQXATUIWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O3/c1-25-16-5-2-14(3-6-16)20-23-17-12-15(4-7-18(17)26-20)22-19(24)13-8-10-21-11-9-13/h2-12H,1H3,(H,22,24).
What are the key properties of N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide?
N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-1,3-benzoxazol-5-yl]pyridine-4-carboxamide is sourced from PubChem (CID 25187792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).