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

C15H25N5O2 — CID 91786393

IUPAC(2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)[C@H]3CCCO3)C2)n1C
InChIInChI=1S/C15H25N5O2/c1-19(2)9-13-17-18-14(20(13)3)10-7-11(8-10)16-15(21)12-5-4-6-22-12/h10-12H,4-9H2,1-3H3,(H,16,21)/t10?,11?,12-/m1/s1
InChIKeyBGEWHTGYRYLTSS-HTAVTVPLSA-N
MW307.40 g/mol
LogP0.42
Rot. Bonds5

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

(2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide (PubChem CID 91786393) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is (2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide
PubChem CID91786393
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name(2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide
SMILESCN(C)Cc1nnc(C2CC(NC(=O)[C@H]3CCCO3)C2)n1C
InChIInChI=1S/C15H25N5O2/c1-19(2)9-13-17-18-14(20(13)3)10-7-11(8-10)16-15(21)12-5-4-6-22-12/h10-12H,4-9H2,1-3H3,(H,16,21)/t10?,11?,12-/m1/s1
InChIKeyBGEWHTGYRYLTSS-HTAVTVPLSA-N
XLogP0.42
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide with MolForge

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Related Compounds

N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91792882
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 91777461
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-1-ethyl-3,5-dimethylpyrazole-4-carboxamide
CID 91768343
2-(1,2-benzoxazol-3-yl)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91797497
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
cyclopropyl-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 70752240
1-[4-[5-[[2-hydroxyethyl(methyl)amino]methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]ethanone
CID 70788572
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide;hydrochloride
CID 154902517
(2S)-N-cyclopentyloxolane-2-carboxamide
CID 7368997
(2R)-N-cyclopentyloxolane-2-carboxamide
CID 7368998
(2S)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256529
(2S)-N-(azetidin-3-yl)oxolane-2-carboxamide
CID 104856358

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide (CID 91786393) is (2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide is CN(C)Cc1nnc(C2CC(NC(=O)[C@H]3CCCO3)C2)n1C.
What is the InChIKey of (2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide?
The InChIKey is BGEWHTGYRYLTSS-HTAVTVPLSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-19(2)9-13-17-18-14(20(13)3)10-7-11(8-10)16-15(21)12-5-4-6-22-12/h10-12H,4-9H2,1-3H3,(H,16,21)/t10?,11?,12-/m1/s1.
What are the key properties of (2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide?
(2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]oxolane-2-carboxamide is sourced from PubChem (CID 91786393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).