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

C18H24N2O3 — CID 111695400

IUPACN-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)N(C)CCC(C)O)o2)cc1
InChIInChI=1S/C18H24N2O3/c1-13-4-6-15(7-5-13)16-12-19-17(23-16)8-9-18(22)20(3)11-10-14(2)21/h4-7,12,14,21H,8-11H2,1-3H3
InChIKeyWCYOXFRCBVEHQF-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.81
Rot. Bonds7

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

N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 111695400) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID111695400
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCc1ccc(-c2cnc(CCC(=O)N(C)CCC(C)O)o2)cc1
InChIInChI=1S/C18H24N2O3/c1-13-4-6-15(7-5-13)16-12-19-17(23-16)8-9-18(22)20(3)11-10-14(2)21/h4-7,12,14,21H,8-11H2,1-3H3
InChIKeyWCYOXFRCBVEHQF-UHFFFAOYSA-N
XLogP2.81
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695986
N-methyl-N-(4-methylphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 60622214
N-(3-hydroxybutyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111429128
N-[2-(diethylamino)-2-oxoethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55518700
N-(2-anilino-2-oxoethyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55637742
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 31163241
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18157368
N-[1-(3-chlorophenyl)ethyl]-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 55580172
N-(3-amino-4-methylpentyl)-N-methyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
CID 119657556
N-(1-hydroxypropan-2-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 78856641
3-(2,4-dimethylphenyl)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695476
N-(4-hydroxy-2,2-dimethylpentyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111479718

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide (CID 111695400) is N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is Cc1ccc(-c2cnc(CCC(=O)N(C)CCC(C)O)o2)cc1.
What is the InChIKey of N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is WCYOXFRCBVEHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13-4-6-15(7-5-13)16-12-19-17(23-16)8-9-18(22)20(3)11-10-14(2)21/h4-7,12,14,21H,8-11H2,1-3H3.
What are the key properties of N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide?
N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 316.40 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxybutyl)-N-methyl-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 111695400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).