(2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide

C15H23N3O3 — CID 129341858

IUPAC(2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2CC[C@@H](C)O2)cn1
InChIInChI=1S/C15H23N3O3/c1-3-18-9-11(8-16-18)14-12(6-7-20-14)17-15(19)13-5-4-10(2)21-13/h8-10,12-14H,3-7H2,1-2H3,(H,17,19)/t10-,12+,13+,14-/m1/s1
InChIKeyZNFCKSDDWAOCKQ-VZZFWQQMSA-N
MW293.37 g/mol
LogP1.42
Rot. Bonds4

About (2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide

(2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide (PubChem CID 129341858) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide
PubChem CID129341858
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name(2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2CC[C@@H](C)O2)cn1
InChIInChI=1S/C15H23N3O3/c1-3-18-9-11(8-16-18)14-12(6-7-20-14)17-15(19)13-5-4-10(2)21-13/h8-10,12-14H,3-7H2,1-2H3,(H,17,19)/t10-,12+,13+,14-/m1/s1
InChIKeyZNFCKSDDWAOCKQ-VZZFWQQMSA-N
XLogP1.42
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide?
The IUPAC name of (2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide (CID 129341858) is (2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide is CCn1cc([C@H]2OCC[C@@H]2NC(=O)[C@@H]2CC[C@@H](C)O2)cn1.
What is the InChIKey of (2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide?
The InChIKey is ZNFCKSDDWAOCKQ-VZZFWQQMSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-18-9-11(8-16-18)14-12(6-7-20-14)17-15(19)13-5-4-10(2)21-13/h8-10,12-14H,3-7H2,1-2H3,(H,17,19)/t10-,12+,13+,14-/m1/s1.
What are the key properties of (2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide?
(2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 129341858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).