3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide

C12H18N2O3 — CID 115877466

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NC1(CO)CC1
InChIInChI=1S/C12H18N2O3/c1-8-10(9(2)17-14-8)3-4-11(16)13-12(7-15)5-6-12/h15H,3-7H2,1-2H3,(H,13,16)
InChIKeyFBRQVZKCBRMGPZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.87
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide (PubChem CID 115877466) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
PubChem CID115877466
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NC1(CO)CC1
InChIInChI=1S/C12H18N2O3/c1-8-10(9(2)17-14-8)3-4-11(16)13-12(7-15)5-6-12/h15H,3-7H2,1-2H3,(H,13,16)
InChIKeyFBRQVZKCBRMGPZ-UHFFFAOYSA-N
XLogP0.87
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 43351070
1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544348
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-hydroxy-2-methylpropyl)propanamide
CID 65031474
N-[1-(4-chlorophenyl)cyclobutyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 47071392
N-(3,3-dimethylcyclopentyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 115880663
N-[1-(aminomethyl)cyclopentyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
CID 119565839
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-[[4-(methoxymethyl)piperidin-4-yl]methyl]propanamide;hydrochloride
CID 120887952
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 86908068
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-(4-hydroxycyclohexyl)propanamide
CID 43389662
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylbutan-2-yl)propanamide
CID 64556156

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide (CID 115877466) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide is Cc1noc(C)c1CCC(=O)NC1(CO)CC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
The InChIKey is FBRQVZKCBRMGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-10(9(2)17-14-8)3-4-11(16)13-12(7-15)5-6-12/h15H,3-7H2,1-2H3,(H,13,16).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(hydroxymethyl)cyclopropyl]propanamide has a molecular weight of 238.29 g/mol, XLogP of 0.87, 5 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-[1-(hydroxymethyl)cyclopropyl]propanamide is sourced from PubChem (CID 115877466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).