[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C22H30N2O3 — CID 134707354

IUPAC[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2c(-c3ccccc3)noc2C)C[C@H](C(C)C)O1
InChIInChI=1S/C22H30N2O3/c1-5-6-12-18-13-24(14-19(26-18)15(2)3)22(25)20-16(4)27-23-21(20)17-10-8-7-9-11-17/h7-11,15,18-19H,5-6,12-14H2,1-4H3/t18-,19-/m1/s1
InChIKeyBJOFBIUWPWKHLY-RTBURBONSA-N
MW370.49 g/mol
LogP4.71
Rot. Bonds6

About [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 134707354) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
PubChem CID134707354
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC Name[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
SMILESCCCC[C@@H]1CN(C(=O)c2c(-c3ccccc3)noc2C)C[C@H](C(C)C)O1
InChIInChI=1S/C22H30N2O3/c1-5-6-12-18-13-24(14-19(26-18)15(2)3)22(25)20-16(4)27-23-21(20)17-10-8-7-9-11-17/h7-11,15,18-19H,5-6,12-14H2,1-4H3/t18-,19-/m1/s1
InChIKeyBJOFBIUWPWKHLY-RTBURBONSA-N
XLogP4.71
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(2,6-dihydroxyphenyl)methanone
CID 155912977
2-[(2R,6S)-2-butyl-6-propan-2-ylmorpholine-4-carbonyl]benzonitrile
CID 155508248
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 700898
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methylpyrazin-2-yl)methanone
CID 137340516
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methanone
CID 134701122
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-fluoro-2-methylphenyl)methanone
CID 155498952
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-morpholin-4-ylphenyl)methanone
CID 157013660
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-[(1R,2S,6S,9R)-6-propyl-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]methanone
CID 166618315
N-butyl-N-methyl-1-(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)piperidine-4-carboxamide
CID 60526195
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 155510237
(3-hydroxypiperidin-1-yl)-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
CID 110878380
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 59170027

Frequently Asked Questions

What is the IUPAC name of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The IUPAC name of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 134707354) is [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.
What is the SMILES notation for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The canonical SMILES for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is CCCC[C@@H]1CN(C(=O)c2c(-c3ccccc3)noc2C)C[C@H](C(C)C)O1.
What is the InChIKey of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
The InChIKey is BJOFBIUWPWKHLY-RTBURBONSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-5-6-12-18-13-24(14-19(26-18)15(2)3)22(25)20-16(4)27-23-21(20)17-10-8-7-9-11-17/h7-11,15,18-19H,5-6,12-14H2,1-4H3/t18-,19-/m1/s1.
What are the key properties of [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?
[(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 370.49 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,6S)-2-butyl-6-propan-2-ylmorpholin-4-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 134707354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).