N-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C18H24N2O3 — CID 111483980

IUPACN-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCC(C)C(C)(O)CNC(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H24N2O3/c1-13(2)18(3,22)12-20-16(21)9-10-17-19-11-15(23-17)14-7-5-4-6-8-14/h4-8,11,13,22H,9-10,12H2,1-3H3,(H,20,21)
InChIKeyGTXHHCWLIRRAIP-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.80
Rot. Bonds7

About N-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 111483980) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is N-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID111483980
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC NameN-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCC(C)C(C)(O)CNC(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H24N2O3/c1-13(2)18(3,22)12-20-16(21)9-10-17-19-11-15(23-17)14-7-5-4-6-8-14/h4-8,11,13,22H,9-10,12H2,1-3H3,(H,20,21)
InChIKeyGTXHHCWLIRRAIP-UHFFFAOYSA-N
XLogP2.80
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-(4-hydroxy-2,2-dimethylpentyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 111479718
N-(2-amino-2-methylpropyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide;dihydrochloride
CID 119625668
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748
N-[2-(ethylamino)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119505974
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 18136013
3-(5-phenyl-1,3-oxazol-2-yl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 134021509
2-methyl-N-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoylamino]phenyl]propanamide
CID 41355513
N-[(1S)-1-(2-hydroxyphenyl)ethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51934580

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 111483980) is N-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is CC(C)C(C)(O)CNC(=O)CCc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is GTXHHCWLIRRAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-13(2)18(3,22)12-20-16(21)9-10-17-19-11-15(23-17)14-7-5-4-6-8-14/h4-8,11,13,22H,9-10,12H2,1-3H3,(H,20,21).
What are the key properties of N-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 316.40 g/mol, XLogP of 2.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2,3-dimethylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 111483980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).