[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C17H20N2O4 — CID 45213347

IUPAC[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCOc1ccc(CC2CN(C(=O)c3ocnc3C)CCO2)cc1
InChIInChI=1S/C17H20N2O4/c1-12-16(23-11-18-12)17(20)19-7-8-22-15(10-19)9-13-3-5-14(21-2)6-4-13/h3-6,11,15H,7-10H2,1-2H3
InChIKeyBQURYQOJRPKLLE-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.08
Rot. Bonds4

About [2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 45213347) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID45213347
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCOc1ccc(CC2CN(C(=O)c3ocnc3C)CCO2)cc1
InChIInChI=1S/C17H20N2O4/c1-12-16(23-11-18-12)17(20)19-7-8-22-15(10-19)9-13-3-5-14(21-2)6-4-13/h3-6,11,15H,7-10H2,1-2H3
InChIKeyBQURYQOJRPKLLE-UHFFFAOYSA-N
XLogP2.08
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-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

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 45213347) is [2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is COc1ccc(CC2CN(C(=O)c3ocnc3C)CCO2)cc1.
What is the InChIKey of [2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is BQURYQOJRPKLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12-16(23-11-18-12)17(20)19-7-8-22-15(10-19)9-13-3-5-14(21-2)6-4-13/h3-6,11,15H,7-10H2,1-2H3.
What are the key properties of [2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 316.36 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 45213347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).