(4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide

C14H22N2O3 — CID 50851757

IUPAC(4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESO=C(NC1CC1)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C14H22N2O3/c17-13(15-11-6-7-11)12-9-19-14(18)16(12)8-10-4-2-1-3-5-10/h10-12H,1-9H2,(H,15,17)/t12-/m0/s1
InChIKeyOXBPNMIZEAJANO-LBPRGKRZSA-N
MW266.34 g/mol
LogP1.67
Rot. Bonds4

About (4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide

(4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide (PubChem CID 50851757) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is (4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide
PubChem CID50851757
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name(4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide
SMILESO=C(NC1CC1)[C@@H]1COC(=O)N1CC1CCCCC1
InChIInChI=1S/C14H22N2O3/c17-13(15-11-6-7-11)12-9-19-14(18)16(12)8-10-4-2-1-3-5-10/h10-12H,1-9H2,(H,15,17)/t12-/m0/s1
InChIKeyOXBPNMIZEAJANO-LBPRGKRZSA-N
XLogP1.67
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The IUPAC name of (4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide (CID 50851757) is (4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide.
What is the SMILES notation for (4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The canonical SMILES for (4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide is O=C(NC1CC1)[C@@H]1COC(=O)N1CC1CCCCC1.
What is the InChIKey of (4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide?
The InChIKey is OXBPNMIZEAJANO-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N2O3/c17-13(15-11-6-7-11)12-9-19-14(18)16(12)8-10-4-2-1-3-5-10/h10-12H,1-9H2,(H,15,17)/t12-/m0/s1.
What are the key properties of (4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide?
(4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(cyclohexylmethyl)-N-cyclopropyl-2-oxo-1,3-oxazolidine-4-carboxamide is sourced from PubChem (CID 50851757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).