N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide

C24H25N3O4 — CID 78861411

IUPACN-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)N(C)CC(=O)N3CCOCC3)o2)cc1
InChIInChI=1S/C24H25N3O4/c1-17-7-9-18(10-8-17)21-15-25-23(31-21)19-5-3-4-6-20(19)24(29)26(2)16-22(28)27-11-13-30-14-12-27/h3-10,15H,11-14,16H2,1-2H3
InChIKeyBVVJBSDPCJIFTB-UHFFFAOYSA-N
MW419.48 g/mol
LogP3.25
Rot. Bonds5

About N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide

N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide (PubChem CID 78861411) has the molecular formula C24H25N3O4 and a molecular weight of 419.48 g/mol. Its IUPAC name is N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide.

Molecular Properties

Compound NameN-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
PubChem CID78861411
Molecular FormulaC24H25N3O4
Molecular Weight419.48 g/mol
Exact Mass419.18
IUPAC NameN-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
SMILESCc1ccc(-c2cnc(-c3ccccc3C(=O)N(C)CC(=O)N3CCOCC3)o2)cc1
InChIInChI=1S/C24H25N3O4/c1-17-7-9-18(10-8-17)21-15-25-23(31-21)19-5-3-4-6-20(19)24(29)26(2)16-22(28)27-11-13-30-14-12-27/h3-10,15H,11-14,16H2,1-2H3
InChIKeyBVVJBSDPCJIFTB-UHFFFAOYSA-N
XLogP3.25
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 46448346
2-[4-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 30887702
N,4-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 89468282
[2-oxo-2-(2-oxo-1,3-oxazolidin-3-yl)ethyl] 2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzoate
CID 8510430
N-methyl-N-(2-morpholin-4-yl-2-oxoethyl)-4-phenylbenzamide
CID 9225813
2-iodo-N,3-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 78880040
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)benzamide;hydrochloride
CID 119447193
(4-amino-3,3-dimethylpiperidin-1-yl)-[2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]phenyl]methanone;hydrochloride
CID 120819402
2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 37481709
N-[2-(tert-butylamino)-2-oxoethyl]-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]benzamide
CID 30702962
2-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
CID 100513460
2-[5-(4-bromophenyl)-1,3-oxazol-2-yl]-N,N-diethylbenzamide
CID 100509744

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The IUPAC name of N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide (CID 78861411) is N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide.
What is the SMILES notation for N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The canonical SMILES for N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide is Cc1ccc(-c2cnc(-c3ccccc3C(=O)N(C)CC(=O)N3CCOCC3)o2)cc1.
What is the InChIKey of N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
The InChIKey is BVVJBSDPCJIFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4/c1-17-7-9-18(10-8-17)21-15-25-23(31-21)19-5-3-4-6-20(19)24(29)26(2)16-22(28)27-11-13-30-14-12-27/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide?
N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide has a molecular weight of 419.48 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide is sourced from PubChem (CID 78861411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).