(2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide

C15H21N3O2 — CID 128997492

IUPAC(2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2C(=O)NC2C=CCCC2)cn1
InChIInChI=1S/C15H21N3O2/c1-18-10-11(9-16-18)14-13(7-8-20-14)15(19)17-12-5-3-2-4-6-12/h3,5,9-10,12-14H,2,4,6-8H2,1H3,(H,17,19)/t12?,13-,14+/m0/s1
InChIKeyCITAWRFELNTCGR-KFTPUPIBSA-N
MW275.35 g/mol
LogP1.72
Rot. Bonds3

About (2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 128997492) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID128997492
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2C(=O)NC2C=CCCC2)cn1
InChIInChI=1S/C15H21N3O2/c1-18-10-11(9-16-18)14-13(7-8-20-14)15(19)17-12-5-3-2-4-6-12/h3,5,9-10,12-14H,2,4,6-8H2,1H3,(H,17,19)/t12?,13-,14+/m0/s1
InChIKeyCITAWRFELNTCGR-KFTPUPIBSA-N
XLogP1.72
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide (CID 128997492) is (2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide is Cn1cc([C@H]2OCC[C@@H]2C(=O)NC2C=CCCC2)cn1.
What is the InChIKey of (2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is CITAWRFELNTCGR-KFTPUPIBSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-18-10-11(9-16-18)14-13(7-8-20-14)15(19)17-12-5-3-2-4-6-12/h3,5,9-10,12-14H,2,4,6-8H2,1H3,(H,17,19)/t12?,13-,14+/m0/s1.
What are the key properties of (2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 275.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-cyclohex-2-en-1-yl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128997492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).