3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide

C21H29N3O2 — CID 55715690

IUPAC3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCCN3CCCC(C)C3)o2)cc1
InChIInChI=1S/C21H29N3O2/c1-16-5-7-18(8-6-16)19-14-23-21(26-19)10-9-20(25)22-11-13-24-12-3-4-17(2)15-24/h5-8,14,17H,3-4,9-13,15H2,1-2H3,(H,22,25)
InChIKeySMHPGKUNWGQPKJ-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.43
Rot. Bonds7

About 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide (PubChem CID 55715690) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide
PubChem CID55715690
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCCN3CCCC(C)C3)o2)cc1
InChIInChI=1S/C21H29N3O2/c1-16-5-7-18(8-6-16)19-14-23-21(26-19)10-9-20(25)22-11-13-24-12-3-4-17(2)15-24/h5-8,14,17H,3-4,9-13,15H2,1-2H3,(H,22,25)
InChIKeySMHPGKUNWGQPKJ-UHFFFAOYSA-N
XLogP3.43
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55717679
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 35418539
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161959
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111429128
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 18163915
N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 24640348
5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119235078
N-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(piperidin-3-ylmethyl)propanamide
CID 119459738
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 86938667
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)propanamide
CID 109019797

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide (CID 55715690) is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide is Cc1ccc(-c2cnc(CCC(=O)NCCN3CCCC(C)C3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide?
The InChIKey is SMHPGKUNWGQPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-16-5-7-18(8-6-16)19-14-23-21(26-19)10-9-20(25)22-11-13-24-12-3-4-17(2)15-24/h5-8,14,17H,3-4,9-13,15H2,1-2H3,(H,22,25).
What are the key properties of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide?
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide has a molecular weight of 355.48 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide is sourced from PubChem (CID 55715690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).