2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol

C14H20N4O2 — CID 72845954

IUPAC2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol
SMILESCc1noc(C)c1-c1nc(C2CCCC2)nn1CCO
InChIInChI=1S/C14H20N4O2/c1-9-12(10(2)20-17-9)14-15-13(11-5-3-4-6-11)16-18(14)7-8-19/h11,19H,3-8H2,1-2H3
InChIKeyTXBRYCAOKHAUHJ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.20
Rot. Bonds4

About 2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol

2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol (PubChem CID 72845954) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol
PubChem CID72845954
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol
SMILESCc1noc(C)c1-c1nc(C2CCCC2)nn1CCO
InChIInChI=1S/C14H20N4O2/c1-9-12(10(2)20-17-9)14-15-13(11-5-3-4-6-11)16-18(14)7-8-19/h11,19H,3-8H2,1-2H3
InChIKeyTXBRYCAOKHAUHJ-UHFFFAOYSA-N
XLogP2.20
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol?
The IUPAC name of 2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol (CID 72845954) is 2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol?
The canonical SMILES for 2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol is Cc1noc(C)c1-c1nc(C2CCCC2)nn1CCO.
What is the InChIKey of 2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol?
The InChIKey is TXBRYCAOKHAUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-12(10(2)20-17-9)14-15-13(11-5-3-4-6-11)16-18(14)7-8-19/h11,19H,3-8H2,1-2H3.
What are the key properties of 2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol?
2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol has a molecular weight of 276.34 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopentyl-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1,2,4-triazol-1-yl]ethanol is sourced from PubChem (CID 72845954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).