N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C12H18N2O3 — CID 63294569

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NCC(O)C1CC1
InChIInChI=1S/C12H18N2O3/c1-7-10(8(2)17-14-7)5-12(16)13-6-11(15)9-3-4-9/h9,11,15H,3-6H2,1-2H3,(H,13,16)
InChIKeyAZJATLGHNGBLJD-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.72
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 63294569) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID63294569
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NCC(O)C1CC1
InChIInChI=1S/C12H18N2O3/c1-7-10(8(2)17-14-7)5-12(16)13-6-11(15)9-3-4-9/h9,11,15H,3-6H2,1-2H3,(H,13,16)
InChIKeyAZJATLGHNGBLJD-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclopropyl-2-hydroxyethyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 55171020
N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
CID 119614131
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593398
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-2-pyrrolidin-1-ylbutyl]acetamide
CID 51658024
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]acetamide
CID 111119841
N-[(R)-cyclopropyl(phenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 93235402
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 55084624
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2-hydroxycyclohexyl)methyl]acetamide
CID 64929090
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-2-phenylpropanoic acid
CID 119254605
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
CID 16770026
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-hydroxy-2,2-dimethylpentyl)acetamide
CID 111480631
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 119525893

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 63294569) is N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)NCC(O)C1CC1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is AZJATLGHNGBLJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7-10(8(2)17-14-7)5-12(16)13-6-11(15)9-3-4-9/h9,11,15H,3-6H2,1-2H3,(H,13,16).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 63294569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).