(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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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).