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

C28H27N3O3 — CID 46448346

IUPACN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C28H27N3O3/c1-30(20-21-11-13-23(14-12-21)31-15-17-33-18-16-31)28(32)25-10-6-5-9-24(25)27-29-19-26(34-27)22-7-3-2-4-8-22/h2-14,19H,15-18,20H2,1H3
InChIKeyIZZHSVDTNWUOKS-UHFFFAOYSA-N
MW453.54 g/mol
LogP5.12
Rot. Bonds6

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

N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide (PubChem CID 46448346) has the molecular formula C28H27N3O3 and a molecular weight of 453.54 g/mol. Its IUPAC name is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
PubChem CID46448346
Molecular FormulaC28H27N3O3
Molecular Weight453.54 g/mol
Exact Mass453.21
IUPAC NameN-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
SMILESCN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1
InChIInChI=1S/C28H27N3O3/c1-30(20-21-11-13-23(14-12-21)31-15-17-33-18-16-31)28(32)25-10-6-5-9-24(25)27-29-19-26(34-27)22-7-3-2-4-8-22/h2-14,19H,15-18,20H2,1H3
InChIKeyIZZHSVDTNWUOKS-UHFFFAOYSA-N
XLogP5.12
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.54
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-yl-2-oxoethyl)benzamide
CID 78861411
N-methyl-2-morpholin-4-yl-N-[(4-phenylphenyl)methyl]pyridine-3-carboxamide
CID 46591412
N,2-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-phenylpyridine-3-carboxamide
CID 24532594
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134013173
N-benzyl-N-(2-hydroxyethyl)-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 78855254
2-benzamido-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 35603946
3-(2-methoxyphenyl)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 31646408
N-(cyclopropylmethyl)-N-ethyl-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 86939454
1-[2-(5-phenyl-1,3-oxazol-2-yl)benzoyl]piperidine-4-carboxylic acid
CID 119166332
N-[(2R)-2-morpholin-4-yl-2-[(3R)-oxolan-3-yl]ethyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide
CID 52582079
(E)-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-3-phenylprop-2-enamide
CID 26972711
N,1-dimethyl-N-[(4-morpholin-4-ylphenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 31660346

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The IUPAC name of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide (CID 46448346) is N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide.
What is the SMILES notation for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The canonical SMILES for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide is CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1.
What is the InChIKey of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
The InChIKey is IZZHSVDTNWUOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O3/c1-30(20-21-11-13-23(14-12-21)31-15-17-33-18-16-31)28(32)25-10-6-5-9-24(25)27-29-19-26(34-27)22-7-3-2-4-8-22/h2-14,19H,15-18,20H2,1H3.
What are the key properties of N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide?
N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide has a molecular weight of 453.54 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]-2-(5-phenyl-1,3-oxazol-2-yl)benzamide is sourced from PubChem (CID 46448346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).