3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide

C30H31N3O3 — CID 41447893

IUPAC3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C30H31N3O3/c1-32(22-25-14-8-9-15-26(25)33-18-20-35-21-19-33)28(34)17-16-27-31-29(23-10-4-2-5-11-23)30(36-27)24-12-6-3-7-13-24/h2-15H,16-22H2,1H3
InChIKeyCRIWMJUNMBKJQD-UHFFFAOYSA-N
MW481.60 g/mol
LogP5.44
Rot. Bonds8

About 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide

3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide (PubChem CID 41447893) has the molecular formula C30H31N3O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
PubChem CID41447893
Molecular FormulaC30H31N3O3
Molecular Weight481.60 g/mol
Exact Mass481.24
IUPAC Name3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
SMILESCN(Cc1ccccc1N1CCOCC1)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C30H31N3O3/c1-32(22-25-14-8-9-15-26(25)33-18-20-35-21-19-33)28(34)17-16-27-31-29(23-10-4-2-5-11-23)30(36-27)24-12-6-3-7-13-24/h2-15H,16-22H2,1H3
InChIKeyCRIWMJUNMBKJQD-UHFFFAOYSA-N
XLogP5.44
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.60
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The IUPAC name of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide (CID 41447893) is 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide.
What is the SMILES notation for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The canonical SMILES for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide is CN(Cc1ccccc1N1CCOCC1)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
The InChIKey is CRIWMJUNMBKJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3/c1-32(22-25-14-8-9-15-26(25)33-18-20-35-21-19-33)28(34)17-16-27-31-29(23-10-4-2-5-11-23)30(36-27)24-12-6-3-7-13-24/h2-15H,16-22H2,1H3.
What are the key properties of 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide?
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide has a molecular weight of 481.60 g/mol, XLogP of 5.44, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide is sourced from PubChem (CID 41447893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).