(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide

C17H25N3O3 — CID 129336877

IUPAC(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2CC23CCOCC3)cn1
InChIInChI=1S/C17H25N3O3/c1-2-20-11-12(10-18-20)15-14(3-6-23-15)19-16(21)13-9-17(13)4-7-22-8-5-17/h10-11,13-15H,2-9H2,1H3,(H,19,21)/t13-,14-,15+/m0/s1
InChIKeyRJKISNGQVUIONX-SOUVJXGZSA-N
MW319.41 g/mol
LogP1.67
Rot. Bonds4

About (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide

(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide (PubChem CID 129336877) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
PubChem CID129336877
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2CC23CCOCC3)cn1
InChIInChI=1S/C17H25N3O3/c1-2-20-11-12(10-18-20)15-14(3-6-23-15)19-16(21)13-9-17(13)4-7-22-8-5-17/h10-11,13-15H,2-9H2,1H3,(H,19,21)/t13-,14-,15+/m0/s1
InChIKeyRJKISNGQVUIONX-SOUVJXGZSA-N
XLogP1.67
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide
CID 129341858
2-[cyclopropyl(ethyl)amino]-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]acetamide
CID 129006245
(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-1,4-dithiane-2-carboxamide
CID 129473013
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
(3aS,6aR)-2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122012093
4-ethyl-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]thiadiazole-5-carboxamide
CID 129001553
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
N-[4-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]amino]cyclohexyl]acetamide
CID 128981450
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-3-(1,3-thiazol-4-ylmethyl)urea
CID 128970251
trans-(1R,2R)-2-cyclopropyl-N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]cyclopropane-1-carboxamide
CID 129400376
(2S,3S)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128997299
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 71873016

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide (CID 129336877) is (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide is CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2CC23CCOCC3)cn1.
What is the InChIKey of (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide?
The InChIKey is RJKISNGQVUIONX-SOUVJXGZSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-20-11-12(10-18-20)15-14(3-6-23-15)19-16(21)13-9-17(13)4-7-22-8-5-17/h10-11,13-15H,2-9H2,1H3,(H,19,21)/t13-,14-,15+/m0/s1.
What are the key properties of (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide?
(2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-6-oxaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 129336877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).