N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide

C15H25N5O3 — CID 91760265

IUPACN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide
SMILESCn1c(CO)nnc1C1CC(NC(=O)CCN2CCCCO2)C1
InChIInChI=1S/C15H25N5O3/c1-19-13(10-21)17-18-15(19)11-8-12(9-11)16-14(22)4-6-20-5-2-3-7-23-20/h11-12,21H,2-10H2,1H3,(H,16,22)
InChIKeyLFZMYGXAFNXYFK-UHFFFAOYSA-N
MW323.40 g/mol
LogP0.09
Rot. Bonds6

About N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide

N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide (PubChem CID 91760265) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide
PubChem CID91760265
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC NameN-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide
SMILESCn1c(CO)nnc1C1CC(NC(=O)CCN2CCCCO2)C1
InChIInChI=1S/C15H25N5O3/c1-19-13(10-21)17-18-15(19)11-8-12(9-11)16-14(22)4-6-20-5-2-3-7-23-20/h11-12,21H,2-10H2,1H3,(H,16,22)
InChIKeyLFZMYGXAFNXYFK-UHFFFAOYSA-N
XLogP0.09
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 91767404
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-pyrrolidin-1-ylcyclopentane-1-carboxamide
CID 91791171
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide
CID 91786458
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91763940
3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide
CID 91769457
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[3-[4-ethyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]propanamide
CID 91772869
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 91783286
(5-cyclooctyl-4-methyl-1,2,4-triazol-3-yl)methanol
CID 115396998
N-(1-cycloheptylpiperidin-3-yl)-3-(1,2-oxazolidin-2-yl)propanamide
CID 45247907
3-chloro-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-propoxybenzamide
CID 91775692
N-[3-[5-(hydroxymethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-oxoazepan-1-yl)acetamide
CID 91789799
N-[3-[4-cyclopropyl-5-(hydroxymethyl)-1,2,4-triazol-3-yl]cyclobutyl]-3-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide?
The IUPAC name of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide (CID 91760265) is N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide.
What is the SMILES notation for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide?
The canonical SMILES for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide is Cn1c(CO)nnc1C1CC(NC(=O)CCN2CCCCO2)C1.
What is the InChIKey of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide?
The InChIKey is LFZMYGXAFNXYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-19-13(10-21)17-18-15(19)11-8-12(9-11)16-14(22)4-6-20-5-2-3-7-23-20/h11-12,21H,2-10H2,1H3,(H,16,22).
What are the key properties of N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide?
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide is sourced from PubChem (CID 91760265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).