N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide

C35H42N2O3 — CID 150767795

IUPACN-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide
SMILESCCCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1C(=O)NC(CC(C)C)c1cc(C)cc(C)c1
InChIInChI=1S/C35H42N2O3/c1-7-11-27-14-15-30(39-17-16-32-26(6)40-35(37-32)28-12-9-8-10-13-28)22-31(27)34(38)36-33(18-23(2)3)29-20-24(4)19-25(5)21-29/h8-10,12-15,19-23,33H,7,11,16-18H2,1-6H3,(H,36,38)
InChIKeyJZFBSXHUJVDHSO-UHFFFAOYSA-N
MW538.73 g/mol
LogP8.36
Rot. Bonds12

About N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide

N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide (PubChem CID 150767795) has the molecular formula C35H42N2O3 and a molecular weight of 538.73 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide
PubChem CID150767795
Molecular FormulaC35H42N2O3
Molecular Weight538.73 g/mol
Exact Mass538.32
IUPAC NameN-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide
SMILESCCCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1C(=O)NC(CC(C)C)c1cc(C)cc(C)c1
InChIInChI=1S/C35H42N2O3/c1-7-11-27-14-15-30(39-17-16-32-26(6)40-35(37-32)28-12-9-8-10-13-28)22-31(27)34(38)36-33(18-23(2)3)29-20-24(4)19-25(5)21-29/h8-10,12-15,19-23,33H,7,11,16-18H2,1-6H3,(H,36,38)
InChIKeyJZFBSXHUJVDHSO-UHFFFAOYSA-N
XLogP8.36
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.73
LogP ≤ 58.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide 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

3-[2-[[(S)-carboxy(phenyl)methyl]carbamoyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 58979399
N-[(1R)-1-(3,5-dimethylphenyl)-3-methylbutyl]-2-propyl-5-[(2,3,6-trifluorophenyl)methoxy]benzamide
CID 150267915
methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate
CID 46837096
3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-(naphthalen-1-ylmethylcarbamoyl)phenyl]propanoic acid
CID 58978970
3-[2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 58979299
ethyl (2S)-2-(ethylamino)-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate;hydrochloride
CID 139706678
3-[2-methyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 58979220
3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-[1-[(2-phenylacetyl)amino]ethyl]phenyl]propanoic acid
CID 69232724
3-[2-(anilinocarbamoyl)-4-[2-[5-methyl-2-(3-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
CID 59759488
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
methyl 2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 59948196
(2S)-2-ethoxy-3-[2-methyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 10201568

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide (CID 150767795) is N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide is CCCc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1C(=O)NC(CC(C)C)c1cc(C)cc(C)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide?
The InChIKey is JZFBSXHUJVDHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N2O3/c1-7-11-27-14-15-30(39-17-16-32-26(6)40-35(37-32)28-12-9-8-10-13-28)22-31(27)34(38)36-33(18-23(2)3)29-20-24(4)19-25(5)21-29/h8-10,12-15,19-23,33H,7,11,16-18H2,1-6H3,(H,36,38).
What are the key properties of N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide?
N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide has a molecular weight of 538.73 g/mol, XLogP of 8.36, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-3-methylbutyl]-5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-propylbenzamide is sourced from PubChem (CID 150767795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).