4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine

C16H20N2O2 — CID 30851824

IUPAC4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
SMILESCc1cccc(-c2nc(CN3CCOCC3)c(C)o2)c1
InChIInChI=1S/C16H20N2O2/c1-12-4-3-5-14(10-12)16-17-15(13(2)20-16)11-18-6-8-19-9-7-18/h3-5,10H,6-9,11H2,1-2H3
InChIKeyYSPUDJBOBJDHIU-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.79
Rot. Bonds3

About 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine

4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine (PubChem CID 30851824) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
PubChem CID30851824
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine
SMILESCc1cccc(-c2nc(CN3CCOCC3)c(C)o2)c1
InChIInChI=1S/C16H20N2O2/c1-12-4-3-5-14(10-12)16-17-15(13(2)20-16)11-18-6-8-19-9-7-18/h3-5,10H,6-9,11H2,1-2H3
InChIKeyYSPUDJBOBJDHIU-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4-oxathiazinane 3,3-dioxide
CID 70783626
methanol;1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carbaldehyde
CID 162740997
5-methyl-4-(pyrrolidin-1-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole
CID 56758334
ethane;4-ethyl-5-methyl-2-(3-methylphenyl)-1,3-oxazole
CID 142936057
(3aR,7aR)-2-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-3a-carboxylic acid
CID 154811552
2-[4-[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 56757456
2-[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 110425209
ethyl (3R)-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxylate
CID 150258829
N-cyclopropyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 20860011
[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]methanamine
CID 56760461
5-methyl-2-(3-phenoxyphenyl)-4-(thiomorpholin-4-ylmethyl)-1,3-oxazole
CID 26329784
5-methyl-4-[[1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-1-ium-1-yl]methyl]-2-(3-methylphenyl)-1,3-oxazole chloride
CID 146061434

Frequently Asked Questions

What is the IUPAC name of 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine?
The IUPAC name of 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine (CID 30851824) is 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine is Cc1cccc(-c2nc(CN3CCOCC3)c(C)o2)c1.
What is the InChIKey of 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine?
The InChIKey is YSPUDJBOBJDHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-4-3-5-14(10-12)16-17-15(13(2)20-16)11-18-6-8-19-9-7-18/h3-5,10H,6-9,11H2,1-2H3.
What are the key properties of 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine?
4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine has a molecular weight of 272.35 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]morpholine is sourced from PubChem (CID 30851824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).