N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide

C14H12ClN5O2 — CID 96559357

IUPACN-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccn[nH]1)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H12ClN5O2/c1-8(17-13(21)11-6-7-16-19-11)12-18-14(22-20-12)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,19)(H,17,21)/t8-/m1/s1
InChIKeyRTOLHAOQMXYZEJ-MRVPVSSYSA-N
MW317.74 g/mol
LogP2.60
Rot. Bonds4

About N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide

N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 96559357) has the molecular formula C14H12ClN5O2 and a molecular weight of 317.74 g/mol. Its IUPAC name is N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
PubChem CID96559357
Molecular FormulaC14H12ClN5O2
Molecular Weight317.74 g/mol
Exact Mass317.07
IUPAC NameN-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1ccn[nH]1)c1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C14H12ClN5O2/c1-8(17-13(21)11-6-7-16-19-11)12-18-14(22-20-12)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,19)(H,17,21)/t8-/m1/s1
InChIKeyRTOLHAOQMXYZEJ-MRVPVSSYSA-N
XLogP2.60
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.74
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-4-carboxamide
CID 96559354
N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]pyridine-3-carboxamide
CID 96559361
(2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 119344422
(2S)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide;hydrochloride
CID 119344413
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 71860913
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
CID 167939618
N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119820192
(1R,5S)-N-[(1S)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 97089634
1-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-3-(3-hydroxybutyl)urea
CID 111861205
1-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]-2-oxoethyl]cyclobutane-1-carboxylic acid
CID 120551988
2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylamino]-N,N-dimethylpropanamide
CID 75521519
4-bromo-N-[2-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethylcarbamoylamino]ethyl]benzamide
CID 167834271

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide (CID 96559357) is N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide is C[C@@H](NC(=O)c1ccn[nH]1)c1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is RTOLHAOQMXYZEJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C14H12ClN5O2/c1-8(17-13(21)11-6-7-16-19-11)12-18-14(22-20-12)9-2-4-10(15)5-3-9/h2-8H,1H3,(H,16,19)(H,17,21)/t8-/m1/s1.
What are the key properties of N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide?
N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 317.74 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 96559357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).