(4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide

C15H20N2O2 — CID 100963121

IUPAC(4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide
SMILESCNC(=O)[C@@H]1C(c2c(C)cc(C)cc2C)=NO[C@H]1C
InChIInChI=1S/C15H20N2O2/c1-8-6-9(2)12(10(3)7-8)14-13(15(18)16-5)11(4)19-17-14/h6-7,11,13H,1-5H3,(H,16,18)/t11-,13-/m0/s1
InChIKeyFCNUUBPHPNGSCY-AAEUAGOBSA-N
MW260.34 g/mol
LogP2.10
Rot. Bonds2

About (4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide

(4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide (PubChem CID 100963121) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is (4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide
PubChem CID100963121
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name(4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide
SMILESCNC(=O)[C@@H]1C(c2c(C)cc(C)cc2C)=NO[C@H]1C
InChIInChI=1S/C15H20N2O2/c1-8-6-9(2)12(10(3)7-8)14-13(15(18)16-5)11(4)19-17-14/h6-7,11,13H,1-5H3,(H,16,18)/t11-,13-/m0/s1
InChIKeyFCNUUBPHPNGSCY-AAEUAGOBSA-N
XLogP2.10
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide?
The IUPAC name of (4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide (CID 100963121) is (4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide.
What is the SMILES notation for (4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide?
The canonical SMILES for (4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide is CNC(=O)[C@@H]1C(c2c(C)cc(C)cc2C)=NO[C@H]1C.
What is the InChIKey of (4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide?
The InChIKey is FCNUUBPHPNGSCY-AAEUAGOBSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-8-6-9(2)12(10(3)7-8)14-13(15(18)16-5)11(4)19-17-14/h6-7,11,13H,1-5H3,(H,16,18)/t11-,13-/m0/s1.
What are the key properties of (4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide?
(4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide has a molecular weight of 260.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-N,5-dimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 100963121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).