4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine

C16H20N2O2 — CID 51076931

IUPAC4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
SMILESCc1noc(C)c1CN1CCOC(c2ccccc2)C1
InChIInChI=1S/C16H20N2O2/c1-12-15(13(2)20-17-12)10-18-8-9-19-16(11-18)14-6-4-3-5-7-14/h3-7,16H,8-11H2,1-2H3
InChIKeyDKTXJCLGUWZCII-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.86
Rot. Bonds3

About 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine (PubChem CID 51076931) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine.

Molecular Properties

Compound Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
PubChem CID51076931
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
SMILESCc1noc(C)c1CN1CCOC(c2ccccc2)C1
InChIInChI=1S/C16H20N2O2/c1-12-15(13(2)20-17-12)10-18-8-9-19-16(11-18)14-6-4-3-5-7-14/h3-7,16H,8-11H2,1-2H3
InChIKeyDKTXJCLGUWZCII-UHFFFAOYSA-N
XLogP2.86
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine 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

3,5-dimethyl-4-[(3-phenylpiperazin-1-yl)methyl]-1,2-oxazole
CID 79238201
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-phenylmorpholin-4-yl)propan-1-one
CID 71707666
4-(2-methylpropyl)-2-phenylmorpholine
CID 6430937
[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
1-cyclopropyl-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]morpholin-2-yl]methyl]-N-methylmethanamine
CID 128996868
3,5-dimethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,2-oxazole
CID 157019503
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-phenylmorpholin-4-yl]propan-1-one
CID 95141971
(2R)-4-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-phenylmorpholine
CID 36954730
(2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine
CID 95323433
(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 36874411
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-(5-phenyl-4,5-dihydro-1,2-oxazol-3-yl)methanone
CID 55862172

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine?
The IUPAC name of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine (CID 51076931) is 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine.
What is the SMILES notation for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine?
The canonical SMILES for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine is Cc1noc(C)c1CN1CCOC(c2ccccc2)C1.
What is the InChIKey of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine?
The InChIKey is DKTXJCLGUWZCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-15(13(2)20-17-12)10-18-8-9-19-16(11-18)14-6-4-3-5-7-14/h3-7,16H,8-11H2,1-2H3.
What are the key properties of 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine?
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine has a molecular weight of 272.35 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine is sourced from PubChem (CID 51076931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).