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

C16H22N2O2 — CID 100963123

IUPAC(4R,5S)-N,N,5-trimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)c(C2=NO[C@@H](C)[C@@H]2C(=O)N(C)C)c(C)c1
InChIInChI=1S/C16H22N2O2/c1-9-7-10(2)13(11(3)8-9)15-14(12(4)20-17-15)16(19)18(5)6/h7-8,12,14H,1-6H3/t12-,14-/m0/s1
InChIKeyHPDISDKZYYIHJW-JSGCOSHPSA-N
MW274.36 g/mol
LogP2.44
Rot. Bonds2

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

(4R,5S)-N,N,5-trimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide (PubChem CID 100963123) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (4R,5S)-N,N,5-trimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name(4R,5S)-N,N,5-trimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide
PubChem CID100963123
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(4R,5S)-N,N,5-trimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide
SMILESCc1cc(C)c(C2=NO[C@@H](C)[C@@H]2C(=O)N(C)C)c(C)c1
InChIInChI=1S/C16H22N2O2/c1-9-7-10(2)13(11(3)8-9)15-14(12(4)20-17-15)16(19)18(5)6/h7-8,12,14H,1-6H3/t12-,14-/m0/s1
InChIKeyHPDISDKZYYIHJW-JSGCOSHPSA-N
XLogP2.44
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,5S)-N,N,5-trimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-N,N,5-trimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide?
The IUPAC name of (4R,5S)-N,N,5-trimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide (CID 100963123) is (4R,5S)-N,N,5-trimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide.
What is the SMILES notation for (4R,5S)-N,N,5-trimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide?
The canonical SMILES for (4R,5S)-N,N,5-trimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide is Cc1cc(C)c(C2=NO[C@@H](C)[C@@H]2C(=O)N(C)C)c(C)c1.
What is the InChIKey of (4R,5S)-N,N,5-trimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide?
The InChIKey is HPDISDKZYYIHJW-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-9-7-10(2)13(11(3)8-9)15-14(12(4)20-17-15)16(19)18(5)6/h7-8,12,14H,1-6H3/t12-,14-/m0/s1.
What are the key properties of (4R,5S)-N,N,5-trimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide?
(4R,5S)-N,N,5-trimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide has a molecular weight of 274.36 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-N,N,5-trimethyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 100963123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).