(2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide

C15H16ClN3O2 — CID 154807888

IUPAC(2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)[C@@H]1OCC[C@@H]1Cn1cccn1
InChIInChI=1S/C15H16ClN3O2/c16-12-4-1-2-5-13(12)18-15(20)14-11(6-9-21-14)10-19-8-3-7-17-19/h1-5,7-8,11,14H,6,9-10H2,(H,18,20)/t11-,14-/m1/s1
InChIKeyFYYMJFIWJYFVCU-BXUZGUMPSA-N
MW305.76 g/mol
LogP2.58
Rot. Bonds4

About (2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide

(2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide (PubChem CID 154807888) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is (2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide
PubChem CID154807888
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name(2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide
SMILESO=C(Nc1ccccc1Cl)[C@@H]1OCC[C@@H]1Cn1cccn1
InChIInChI=1S/C15H16ClN3O2/c16-12-4-1-2-5-13(12)18-15(20)14-11(6-9-21-14)10-19-8-3-7-17-19/h1-5,7-8,11,14H,6,9-10H2,(H,18,20)/t11-,14-/m1/s1
InChIKeyFYYMJFIWJYFVCU-BXUZGUMPSA-N
XLogP2.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxylic acid;hydrochloride
CID 86812226
N-(2-chlorophenyl)-2-[4-(pyrazol-1-ylmethyl)piperidin-1-yl]propanamide
CID 136524069
(2R,3R)-N-[(1S)-1-(4-fluoro-2-methylphenyl)ethyl]-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide
CID 136586790
N-(2-chlorophenyl)cyclopropanecarboxamide
CID 849222
N-(3-chloro-2-pyrazol-1-ylphenyl)oxolane-2-carboxamide
CID 87007046
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
N-(2-chlorophenyl)-1-ethylsulfonylpiperidine-4-carboxamide
CID 17027092
N-(2-chlorophenyl)-2-(hydroxymethyl)cyclohexane-1-carboxamide
CID 82123218
N-(2-chlorophenyl)thiane-4-carboxamide
CID 110858755
N-(2-chlorophenyl)-2-[[5-methyl-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1162749
N-(2-chlorophenyl)-2-[(2-methyloxolan-3-yl)amino]acetamide
CID 82725585
N-(2-chlorophenyl)-2-[[4-[[(2R)-oxolan-2-yl]methyl]-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1162723

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide?
The IUPAC name of (2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide (CID 154807888) is (2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide.
What is the SMILES notation for (2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide?
The canonical SMILES for (2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide is O=C(Nc1ccccc1Cl)[C@@H]1OCC[C@@H]1Cn1cccn1.
What is the InChIKey of (2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide?
The InChIKey is FYYMJFIWJYFVCU-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c16-12-4-1-2-5-13(12)18-15(20)14-11(6-9-21-14)10-19-8-3-7-17-19/h1-5,7-8,11,14H,6,9-10H2,(H,18,20)/t11-,14-/m1/s1.
What are the key properties of (2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide?
(2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide has a molecular weight of 305.76 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(2-chlorophenyl)-3-(pyrazol-1-ylmethyl)oxolane-2-carboxamide is sourced from PubChem (CID 154807888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).