2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol

C14H13ClN4O2 — CID 86790863

IUPAC2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol
SMILESOCCc1cnn(Cc2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C14H13ClN4O2/c15-12-4-2-1-3-11(12)14-18-17-13(21-14)9-19-8-10(5-6-20)7-16-19/h1-4,7-8,20H,5-6,9H2
InChIKeyPVXWIZMIJIBOGA-UHFFFAOYSA-N
MW304.74 g/mol
LogP2.17
Rot. Bonds5

About 2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol

2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol (PubChem CID 86790863) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol
PubChem CID86790863
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol
SMILESOCCc1cnn(Cc2nnc(-c3ccccc3Cl)o2)c1
InChIInChI=1S/C14H13ClN4O2/c15-12-4-2-1-3-11(12)14-18-17-13(21-14)9-19-8-10(5-6-20)7-16-19/h1-4,7-8,20H,5-6,9H2
InChIKeyPVXWIZMIJIBOGA-UHFFFAOYSA-N
XLogP2.17
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol with MolForge

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Related Compounds

2-(2-chlorophenyl)-5-(1,2,4-triazol-4-ylmethyl)-1,3,4-oxadiazole
CID 45029366
2-[[4-(2-bromoethyl)triazol-1-yl]methyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 62396005
2-[[4-(1-bromoethyl)triazol-1-yl]methyl]-5-(2-chlorophenyl)-1,3,4-oxadiazole
CID 81449360
2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82159367
2-(2-chlorophenyl)-5-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 30727885
5,6-dichloro-2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]isoindole-1,3-dione
CID 43052720
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]furan-2-carboxamide
CID 110319665
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propan-1-ol
CID 112695503
N-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylpropanamide
CID 110321512
3-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62139450
3-[2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-1,1-dimethylurea
CID 110321568

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol (CID 86790863) is 2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol is OCCc1cnn(Cc2nnc(-c3ccccc3Cl)o2)c1.
What is the InChIKey of 2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol?
The InChIKey is PVXWIZMIJIBOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c15-12-4-2-1-3-11(12)14-18-17-13(21-14)9-19-8-10(5-6-20)7-16-19/h1-4,7-8,20H,5-6,9H2.
What are the key properties of 2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol?
2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol has a molecular weight of 304.74 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]pyrazol-4-yl]ethanol is sourced from PubChem (CID 86790863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).