N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide

C12H15N5O2 — CID 56702942

IUPACN-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCC(n2cnnc2)CC1)c1ccno1
InChIInChI=1S/C12H15N5O2/c18-12(11-5-6-15-19-11)16-9-1-3-10(4-2-9)17-7-13-14-8-17/h5-10H,1-4H2,(H,16,18)
InChIKeyVBTUZEVSTRWKHE-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.18
Rot. Bonds3

About N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide

N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide (PubChem CID 56702942) has the molecular formula C12H15N5O2 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
PubChem CID56702942
Molecular FormulaC12H15N5O2
Molecular Weight261.28 g/mol
Exact Mass261.12
IUPAC NameN-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
SMILESO=C(NC1CCC(n2cnnc2)CC1)c1ccno1
InChIInChI=1S/C12H15N5O2/c18-12(11-5-6-15-19-11)16-9-1-3-10(4-2-9)17-7-13-14-8-17/h5-10H,1-4H2,(H,16,18)
InChIKeyVBTUZEVSTRWKHE-UHFFFAOYSA-N
XLogP1.18
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-hydroxycyclohexyl)-1,2-oxazole-5-carboxamide
CID 43389643
N-cyclobutyl-1,2-oxazole-5-carboxamide
CID 126857173
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 126936200
N-(6-oxopiperidin-3-yl)-1,2-oxazole-5-carboxamide
CID 63663681
N-(4-pyrazin-2-yloxycyclohexyl)-1,2-oxazole-5-carboxamide
CID 91626018
N-[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-3-yl]-1,2-oxazole-5-carboxamide
CID 121022853
N-[4-(1,3-benzodioxol-5-yloxy)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 176505408
3-methyl-1-propyl-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]pyrazole-4-carboxamide
CID 56710020
2-cyclopropyl-2-(1,2-oxazole-5-carbonylamino)acetic acid
CID 62697237
(1R)-3-oxo-N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-dihydroindene-1-carboxamide
CID 98377882
N-(1-cyclopropylethyl)-1,2-oxazole-5-carboxamide
CID 130718675
N-[9-[2-(2-chloroanilino)-2-oxoethyl]-9-azabicyclo[3.3.1]nonan-3-yl]-1,2-oxazole-5-carboxamide
CID 166501905

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide (CID 56702942) is N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide is O=C(NC1CCC(n2cnnc2)CC1)c1ccno1.
What is the InChIKey of N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
The InChIKey is VBTUZEVSTRWKHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c18-12(11-5-6-15-19-11)16-9-1-3-10(4-2-9)17-7-13-14-8-17/h5-10H,1-4H2,(H,16,18).
What are the key properties of N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide?
N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,2,4-triazol-4-yl)cyclohexyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 56702942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).