5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole

C16H17ClN4O — CID 19324613

IUPAC5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1nn(CC(C)c2nc(-c3ccccc3)no2)c(C)c1Cl
InChIInChI=1S/C16H17ClN4O/c1-10(9-21-12(3)14(17)11(2)19-21)16-18-15(20-22-16)13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3
InChIKeyQEYWGWKWIJGIGC-UHFFFAOYSA-N
MW316.79 g/mol
LogP4.01
Rot. Bonds4

About 5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole

5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 19324613) has the molecular formula C16H17ClN4O and a molecular weight of 316.79 g/mol. Its IUPAC name is 5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID19324613
Molecular FormulaC16H17ClN4O
Molecular Weight316.79 g/mol
Exact Mass316.11
IUPAC Name5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1nn(CC(C)c2nc(-c3ccccc3)no2)c(C)c1Cl
InChIInChI=1S/C16H17ClN4O/c1-10(9-21-12(3)14(17)11(2)19-21)16-18-15(20-22-16)13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3
InChIKeyQEYWGWKWIJGIGC-UHFFFAOYSA-N
XLogP4.01
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole (CID 19324613) is 5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole is Cc1nn(CC(C)c2nc(-c3ccccc3)no2)c(C)c1Cl.
What is the InChIKey of 5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is QEYWGWKWIJGIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O/c1-10(9-21-12(3)14(17)11(2)19-21)16-18-15(20-22-16)13-7-5-4-6-8-13/h4-8,10H,9H2,1-3H3.
What are the key properties of 5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole?
5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 316.79 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chloro-3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 19324613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).