N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

C25H29N3O3 — CID 55783988

IUPACN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccc3CN3CC(C)OC(C)C3)on2)cc1
InChIInChI=1S/C25H29N3O3/c1-17-8-10-20(11-9-17)23-12-24(31-27-23)25(29)26-13-21-6-4-5-7-22(21)16-28-14-18(2)30-19(3)15-28/h4-12,18-19H,13-16H2,1-3H3,(H,26,29)
InChIKeyFFYZZWDPVPAUKS-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.19
Rot. Bonds6

About N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide

N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 55783988) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID55783988
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCc3ccccc3CN3CC(C)OC(C)C3)on2)cc1
InChIInChI=1S/C25H29N3O3/c1-17-8-10-20(11-9-17)23-12-24(31-27-23)25(29)26-13-21-6-4-5-7-22(21)16-28-14-18(2)30-19(3)15-28/h4-12,18-19H,13-16H2,1-3H3,(H,26,29)
InChIKeyFFYZZWDPVPAUKS-UHFFFAOYSA-N
XLogP4.19
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 51121223
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methylfuran-3-carboxamide
CID 47042325
3-amino-N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]pyrazine-2-carboxamide
CID 60515210
2-amino-N-[[2-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]-2-methylpropanamide
CID 124696235
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-4-methylsulfanylbenzamide
CID 78880331
1-amino-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclopropane-1-carboxamide
CID 124689810
3-(3-fluorophenyl)-N-[[2-[(4-phenylpiperazin-1-yl)methyl]phenyl]methyl]-1,2-oxazole-5-carboxamide
CID 46474047
1-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-2-methyl-3-[(2-methylphenyl)methyl]guanidine
CID 111359340
3-(4-methylphenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 46445645
(1S)-N-[[2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]phenyl]methyl]cyclohex-3-ene-1-carboxamide
CID 99845328
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
CID 119237689
N-(4-methylcyclohexyl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 46427023

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide (CID 55783988) is N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)NCc3ccccc3CN3CC(C)OC(C)C3)on2)cc1.
What is the InChIKey of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is FFYZZWDPVPAUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17-8-10-20(11-9-17)23-12-24(31-27-23)25(29)26-13-21-6-4-5-7-22(21)16-28-14-18(2)30-19(3)15-28/h4-12,18-19H,13-16H2,1-3H3,(H,26,29).
What are the key properties of N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide?
N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,6-dimethylmorpholin-4-yl)methyl]phenyl]methyl]-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55783988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).