3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide

C24H35N3O3 — CID 33314358

IUPAC3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NC[C@@H](CC(C)C)N3CCOCC3)o2)cc1C
InChIInChI=1S/C24H35N3O3/c1-17(2)13-21(27-9-11-29-12-10-27)15-25-23(28)7-8-24-26-16-22(30-24)20-6-5-18(3)19(4)14-20/h5-6,14,16-17,21H,7-13,15H2,1-4H3,(H,25,28)/t21-/m1/s1
InChIKeyFATPKIMMONFYHU-OAQYLSRUSA-N
MW413.56 g/mol
LogP3.75
Rot. Bonds9

About 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide

3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide (PubChem CID 33314358) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide.

Molecular Properties

Compound Name3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide
PubChem CID33314358
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Name3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NC[C@@H](CC(C)C)N3CCOCC3)o2)cc1C
InChIInChI=1S/C24H35N3O3/c1-17(2)13-21(27-9-11-29-12-10-27)15-25-23(28)7-8-24-26-16-22(30-24)20-6-5-18(3)19(4)14-20/h5-6,14,16-17,21H,7-13,15H2,1-4H3,(H,25,28)/t21-/m1/s1
InChIKeyFATPKIMMONFYHU-OAQYLSRUSA-N
XLogP3.75
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]propanamide
CID 24643854
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 16597439
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161959
N-(5-chloro-2-morpholin-4-ylphenyl)-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
CID 16594353
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 29324939
N-(4-methyl-2-morpholin-4-ylpentyl)-3-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 134053199
4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid
CID 119253516
3-(3,4-dimethoxyphenyl)-N-(4-methyl-2-morpholin-4-ylpentyl)propanamide
CID 55520619
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
CID 43044730
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-(2-methyl-4-pyrrolidin-1-ylphenyl)propanamide
CID 41399574
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
CID 34967892
N-[2-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65183522

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide?
The IUPAC name of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide (CID 33314358) is 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide.
What is the SMILES notation for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide?
The canonical SMILES for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide is Cc1ccc(-c2cnc(CCC(=O)NC[C@@H](CC(C)C)N3CCOCC3)o2)cc1C.
What is the InChIKey of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide?
The InChIKey is FATPKIMMONFYHU-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-17(2)13-21(27-9-11-29-12-10-27)15-25-23(28)7-8-24-26-16-22(30-24)20-6-5-18(3)19(4)14-20/h5-6,14,16-17,21H,7-13,15H2,1-4H3,(H,25,28)/t21-/m1/s1.
What are the key properties of 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide?
3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide has a molecular weight of 413.56 g/mol, XLogP of 3.75, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-4-methyl-2-morpholin-4-ylpentyl]propanamide is sourced from PubChem (CID 33314358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).