N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide

C14H22N4O2 — CID 75504347

IUPACN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCc1nnc(C2CCC2)n1C
InChIInChI=1S/C14H22N4O2/c1-9-6-7-20-12(9)14(19)15-8-11-16-17-13(18(11)2)10-4-3-5-10/h9-10,12H,3-8H2,1-2H3,(H,15,19)
InChIKeyYFYMIDXNRGBOIR-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.12
Rot. Bonds4

About N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide

N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide (PubChem CID 75504347) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide
PubChem CID75504347
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC NameN-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide
SMILESCC1CCOC1C(=O)NCc1nnc(C2CCC2)n1C
InChIInChI=1S/C14H22N4O2/c1-9-6-7-20-12(9)14(19)15-8-11-16-17-13(18(11)2)10-4-3-5-10/h9-10,12H,3-8H2,1-2H3,(H,15,19)
InChIKeyYFYMIDXNRGBOIR-UHFFFAOYSA-N
XLogP1.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]oxolane-2-carboxamide
CID 3232109
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]oxane-3-carboxamide
CID 86792835
N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4-(trifluoromethyl)oxolane-2-carboxamide
CID 166318379
N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide
CID 3232071
N-[2-(7-propyl-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl)ethyl]tetrahydro-2-furancarboxamide
CID 45208177
N-[2-[7-(2-methylpropyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl]oxolane-2-carboxamide
CID 45210105
N-{2-[7-(cyclohexylmethyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-yl]ethyl}tetrahydro-2-furancarboxamide
CID 45212772
Oxolan-2-yl-(3-propan-2-yl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone
CID 45217136
4-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]-1-(tetrahydrofuran-2-ylcarbonyl)piperidine
CID 70732267
(2S)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide
CID 7451471
(2R)-N-[(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)methyl]oxolane-2-carboxamide
CID 7451472
(2S)-N-[2-(4-ethyl-5-methylsulfanyl-1,2,4-triazol-3-yl)ethyl]oxolane-2-carboxamide
CID 7451480

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide?
The IUPAC name of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide (CID 75504347) is N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide?
The canonical SMILES for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide is CC1CCOC1C(=O)NCc1nnc(C2CCC2)n1C.
What is the InChIKey of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide?
The InChIKey is YFYMIDXNRGBOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-9-6-7-20-12(9)14(19)15-8-11-16-17-13(18(11)2)10-4-3-5-10/h9-10,12H,3-8H2,1-2H3,(H,15,19).
What are the key properties of N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide?
N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide has a molecular weight of 278.36 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 75504347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).