N-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide

C16H14N4O3 — CID 42569058

IUPACN-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C16H14N4O3/c21-12-6-4-11(5-7-12)8-10-18-15(22)16-19-14(20-23-16)13-3-1-2-9-17-13/h1-7,9,21H,8,10H2,(H,18,22)
InChIKeyMBGXAHHAMCNUGA-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.81
Rot. Bonds5

About N-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide (PubChem CID 42569058) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
PubChem CID42569058
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
SMILESO=C(NCCc1ccc(O)cc1)c1nc(-c2ccccn2)no1
InChIInChI=1S/C16H14N4O3/c21-12-6-4-11(5-7-12)8-10-18-15(22)16-19-14(20-23-16)13-3-1-2-9-17-13/h1-7,9,21H,8,10H2,(H,18,22)
InChIKeyMBGXAHHAMCNUGA-UHFFFAOYSA-N
XLogP1.81
TPSA101.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methoxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581632
2-[(3-pyridin-2-yl-1,2,4-oxadiazole-5-carbonyl)amino]acetic acid
CID 66703190
3-pyridin-2-yl-N-(pyridin-4-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42537666
N-[2-(1H-indol-3-yl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581080
N-[2-(4-hydroxyphenyl)ethyl]-3-(4-propan-2-yloxyphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 42581185
N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]-1,3-oxazole-5-carboxamide
CID 91766111
7-phenyl-1-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)heptan-1-one
CID 24951001
N-[2-(4-chlorophenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 22521072
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 98192387
N-[2-(4-methoxyphenyl)ethyl]-3-pyridin-3-yl-1,2,4-oxadiazole-5-carboxamide
CID 42581201
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 42569131
6-methyl-4-oxo-N-[2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]pyran-2-carboxamide
CID 77082714

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide (CID 42569058) is N-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide is O=C(NCCc1ccc(O)cc1)c1nc(-c2ccccn2)no1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is MBGXAHHAMCNUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O3/c21-12-6-4-11(5-7-12)8-10-18-15(22)16-19-14(20-23-16)13-3-1-2-9-17-13/h1-7,9,21H,8,10H2,(H,18,22).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 42569058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).