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

C17H22N2O3 — CID 111429128

IUPACN-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCCC(C)O)o2)cc1
InChIInChI=1S/C17H22N2O3/c1-12-3-5-14(6-4-12)15-11-19-17(22-15)8-7-16(21)18-10-9-13(2)20/h3-6,11,13,20H,7-10H2,1-2H3,(H,18,21)
InChIKeyDZCBZCGPVFOHCQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.47
Rot. Bonds7

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

N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 111429128) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID111429128
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)NCCC(C)O)o2)cc1
InChIInChI=1S/C17H22N2O3/c1-12-3-5-14(6-4-12)15-11-19-17(22-15)8-7-16(21)18-10-9-13(2)20/h3-6,11,13,20H,7-10H2,1-2H3,(H,18,21)
InChIKeyDZCBZCGPVFOHCQ-UHFFFAOYSA-N
XLogP2.47
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119499834
N-(4-hydroxy-2,2-dimethylpentyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111479718
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-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]propanamide
CID 95787866
N-[2-(4-fluorophenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 30698610
N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111695400
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18136013
N-(1-hydroxypropan-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 78856641
4-methyl-2-[[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoylamino]methyl]pentanoic acid
CID 119253516
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 35161959
N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119625668

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 111429128) is N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)NCCC(C)O)o2)cc1.
What is the InChIKey of N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is DZCBZCGPVFOHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-12-3-5-14(6-4-12)15-11-19-17(22-15)8-7-16(21)18-10-9-13(2)20/h3-6,11,13,20H,7-10H2,1-2H3,(H,18,21).
What are the key properties of N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 302.37 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 111429128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).