N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide

C11H14N6O3 — CID 62401711

IUPACN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CCO)nn1)Nc1nnc(C2CC2)o1
InChIInChI=1S/C11H14N6O3/c18-4-3-8-5-17(16-13-8)6-9(19)12-11-15-14-10(20-11)7-1-2-7/h5,7,18H,1-4,6H2,(H,12,15,19)
InChIKeyAQCODFNIENNFQE-UHFFFAOYSA-N
MW278.27 g/mol
LogP-0.29
Rot. Bonds6

About N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide

N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide (PubChem CID 62401711) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
PubChem CID62401711
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC NameN-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide
SMILESO=C(Cn1cc(CCO)nn1)Nc1nnc(C2CC2)o1
InChIInChI=1S/C11H14N6O3/c18-4-3-8-5-17(16-13-8)6-9(19)12-11-15-14-10(20-11)7-1-2-7/h5,7,18H,1-4,6H2,(H,12,15,19)
InChIKeyAQCODFNIENNFQE-UHFFFAOYSA-N
XLogP-0.29
TPSA118.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide (CID 62401711) is N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide is O=C(Cn1cc(CCO)nn1)Nc1nnc(C2CC2)o1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
The InChIKey is AQCODFNIENNFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c18-4-3-8-5-17(16-13-8)6-9(19)12-11-15-14-10(20-11)7-1-2-7/h5,7,18H,1-4,6H2,(H,12,15,19).
What are the key properties of N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide?
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide has a molecular weight of 278.27 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-[4-(2-hydroxyethyl)triazol-1-yl]acetamide is sourced from PubChem (CID 62401711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).