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

C22H31N3O2 — CID 35418539

IUPAC3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCCCN3CCC(C)CC3)o2)cc1
InChIInChI=1S/C22H31N3O2/c1-17-4-6-19(7-5-17)20-16-24-22(27-20)9-8-21(26)23-12-3-13-25-14-10-18(2)11-15-25/h4-7,16,18H,3,8-15H2,1-2H3,(H,23,26)
InChIKeyQNGOZHQZINMKIE-UHFFFAOYSA-N
MW369.51 g/mol
LogP3.82
Rot. Bonds8

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

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide (PubChem CID 35418539) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide.

Molecular Properties

Compound Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
PubChem CID35418539
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCCCN3CCC(C)CC3)o2)cc1
InChIInChI=1S/C22H31N3O2/c1-17-4-6-19(7-5-17)20-16-24-22(27-20)9-8-21(26)23-12-3-13-25-14-10-18(2)11-15-25/h4-7,16,18H,3,8-15H2,1-2H3,(H,23,26)
InChIKeyQNGOZHQZINMKIE-UHFFFAOYSA-N
XLogP3.82
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[2-(3-methylpiperidin-1-yl)ethyl]propanamide
CID 55715690
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161959
N-[4-(3-methylpiperidin-1-yl)butyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55717679
5-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]pentanoic acid
CID 119235078
3-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)propanamide;dihydrochloride
CID 119391777
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111429128
N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 18163915
3-(4,5-diphenyl-1,3-oxazol-2-yl)-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide
CID 35418573
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxobutyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 86938667
N-[2-(ethylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119504510
4-(5-phenyl-1,3-oxazol-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide
CID 119390880

Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
The IUPAC name of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide (CID 35418539) is 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide.
What is the SMILES notation for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
The canonical SMILES for 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide is Cc1ccc(-c2cnc(CCC(=O)NCCCN3CCC(C)CC3)o2)cc1.
What is the InChIKey of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
The InChIKey is QNGOZHQZINMKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17-4-6-19(7-5-17)20-16-24-22(27-20)9-8-21(26)23-12-3-13-25-14-10-18(2)11-15-25/h4-7,16,18H,3,8-15H2,1-2H3,(H,23,26).
What are the key properties of 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide?
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[3-(4-methylpiperidin-1-yl)propyl]propanamide has a molecular weight of 369.51 g/mol, XLogP of 3.82, 8 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-[3-(4-methylpiperidin-1-yl)propyl]propanamide is sourced from PubChem (CID 35418539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).