3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide

C12H20N2O3 — CID 65031474

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCC(C)CO
InChIInChI=1S/C12H20N2O3/c1-8(7-15)6-13-12(16)5-4-11-9(2)14-17-10(11)3/h8,15H,4-7H2,1-3H3,(H,13,16)
InChIKeyTTZGILFPYAFFEE-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.97
Rot. Bonds6

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide (PubChem CID 65031474) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide
PubChem CID65031474
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide
SMILESCc1noc(C)c1CCC(=O)NCC(C)CO
InChIInChI=1S/C12H20N2O3/c1-8(7-15)6-13-12(16)5-4-11-9(2)14-17-10(11)3/h8,15H,4-7H2,1-3H3,(H,13,16)
InChIKeyTTZGILFPYAFFEE-UHFFFAOYSA-N
XLogP0.97
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110833015
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methyl-2-propan-2-ylbutyl)propanamide
CID 102914904
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(methylamino)propyl]propanamide
CID 120828813
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]propanamide
CID 79252751
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 86908068
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
CID 115877466
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-2-thiophen-3-ylethyl)propanamide
CID 103686148
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-hydroxybutanoic acid
CID 43238767
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]propanamide
CID 90598726
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[2-(hydroxymethyl)phenyl]methyl]propanamide
CID 110908981
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(4-hydroxy-2-methylbutyl)urea
CID 111976854
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-methoxyethoxy)ethyl]propanamide
CID 86985319

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide (CID 65031474) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide is Cc1noc(C)c1CCC(=O)NCC(C)CO.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide?
The InChIKey is TTZGILFPYAFFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(7-15)6-13-12(16)5-4-11-9(2)14-17-10(11)3/h8,15H,4-7H2,1-3H3,(H,13,16).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide has a molecular weight of 240.30 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide is sourced from PubChem (CID 65031474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).