[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate

C18H21N3O4S — CID 143054113

IUPAC[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate
SMILESO=C(Cc1cccs1)OC1CC(c2cc(NC(=O)[C@H]3CCCO3)n[nH]2)C1
InChIInChI=1S/C18H21N3O4S/c22-17(9-13-3-2-6-26-13)25-12-7-11(8-12)14-10-16(21-20-14)19-18(23)15-4-1-5-24-15/h2-3,6,10-12,15H,1,4-5,7-9H2,(H2,19,20,21,23)/t11?,12?,15-/m1/s1
InChIKeyZWZHWLROTYSNQM-KOHJWAIASA-N
MW375.45 g/mol
LogP2.62
Rot. Bonds6

About [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate

[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate (PubChem CID 143054113) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate.

Molecular Properties

Compound Name[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate
PubChem CID143054113
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate
SMILESO=C(Cc1cccs1)OC1CC(c2cc(NC(=O)[C@H]3CCCO3)n[nH]2)C1
InChIInChI=1S/C18H21N3O4S/c22-17(9-13-3-2-6-26-13)25-12-7-11(8-12)14-10-16(21-20-14)19-18(23)15-4-1-5-24-15/h2-3,6,10-12,15H,1,4-5,7-9H2,(H2,19,20,21,23)/t11?,12?,15-/m1/s1
InChIKeyZWZHWLROTYSNQM-KOHJWAIASA-N
XLogP2.62
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate with MolForge

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Related Compounds

[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 68523419
(2R)-N-[5-(2-phenylethyl)-1H-pyrazol-3-yl]oxolane-2-carboxamide
CID 95635352
3-[[(2S)-oxolane-2-carbonyl]amino]-1H-pyrazole-5-carboxylic acid
CID 104855741
(2S)-N-(5-propan-2-yl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103872756
(2S)-N-(5-propyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 103873136
(2R)-N-[(2-thiophen-2-yl-3-pyridinyl)methyl]oxolane-2-carboxamide
CID 100745825
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42889236
(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)oxolane-2-carboxamide
CID 113342671
N-[5-(3-benzamidocyclobutyl)-1H-pyrazol-3-yl]oxane-4-carboxamide
CID 90987494
N-(5-propyl-1H-pyrazol-3-yl)oxane-2-carboxamide
CID 112702851
(2S)-N-(5-thiophen-2-yl-1,3,4-thiadiazol-2-yl)oxolane-2-carboxamide
CID 1225676
(2S)-N-[2,5-diethoxy-4-(thiophene-2-carbonylamino)phenyl]oxolane-2-carboxamide
CID 1138798

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate?
The IUPAC name of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate (CID 143054113) is [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate.
What is the SMILES notation for [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate?
The canonical SMILES for [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate is O=C(Cc1cccs1)OC1CC(c2cc(NC(=O)[C@H]3CCCO3)n[nH]2)C1.
What is the InChIKey of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate?
The InChIKey is ZWZHWLROTYSNQM-KOHJWAIASA-N. The full InChI is InChI=1S/C18H21N3O4S/c22-17(9-13-3-2-6-26-13)25-12-7-11(8-12)14-10-16(21-20-14)19-18(23)15-4-1-5-24-15/h2-3,6,10-12,15H,1,4-5,7-9H2,(H2,19,20,21,23)/t11?,12?,15-/m1/s1.
What are the key properties of [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate?
[3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate has a molecular weight of 375.45 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[[(2R)-oxolane-2-carbonyl]amino]-1H-pyrazol-5-yl]cyclobutyl] 2-thiophen-2-ylacetate is sourced from PubChem (CID 143054113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).