[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid

C14H10N4O3 — CID 21483705

IUPAC[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2noc(-c3ccncc3)n2)cc1
InChIInChI=1S/C14H10N4O3/c19-14(20)16-11-3-1-9(2-4-11)12-17-13(21-18-12)10-5-7-15-8-6-10/h1-8,16H,(H,19,20)
InChIKeySFNCTEMOEYGWCW-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.89
Rot. Bonds3

About [4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid

[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid (PubChem CID 21483705) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is [4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid.

Molecular Properties

Compound Name[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid
PubChem CID21483705
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(-c2noc(-c3ccncc3)n2)cc1
InChIInChI=1S/C14H10N4O3/c19-14(20)16-11-3-1-9(2-4-11)12-17-13(21-18-12)10-5-7-15-8-6-10/h1-8,16H,(H,19,20)
InChIKeySFNCTEMOEYGWCW-UHFFFAOYSA-N
XLogP2.89
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-[5-(difluoromethyl)-1,2,4-oxadiazol-3-yl]phenyl]carbamic acid
CID 146291046
2-methyl-N-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 50747772
2,2-dimethyl-N-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 50747877
5-(4-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 750618
3-(4-methylphenyl)-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527949
N-(4-acetylphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 46385460
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiourea
CID 169356713
3-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)benzoic acid
CID 11357624
N-[4-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]pyridine-3-carboxamide
CID 17052798
N-(4-fluorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole-5-carboxamide
CID 22520978
2-[[4-[5-[4-(4-methylphenyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl-[4-[(2-pyridin-4-ylacetyl)amino]benzoyl]amino]acetic acid
CID 71111635
N-(4-methylphenyl)-4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 23612263

Frequently Asked Questions

What is the IUPAC name of [4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid?
The IUPAC name of [4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid (CID 21483705) is [4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid.
What is the SMILES notation for [4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid?
The canonical SMILES for [4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid is O=C(O)Nc1ccc(-c2noc(-c3ccncc3)n2)cc1.
What is the InChIKey of [4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid?
The InChIKey is SFNCTEMOEYGWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-14(20)16-11-3-1-9(2-4-11)12-17-13(21-18-12)10-5-7-15-8-6-10/h1-8,16H,(H,19,20).
What are the key properties of [4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid?
[4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid has a molecular weight of 282.26 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)phenyl]carbamic acid is sourced from PubChem (CID 21483705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).