2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide

C12H18N2O3 — CID 99798346

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide
SMILESCCO[C@@H]1C[C@@H]1NC(=O)Cc1c(C)noc1C
InChIInChI=1S/C12H18N2O3/c1-4-16-11-6-10(11)13-12(15)5-9-7(2)14-17-8(9)3/h10-11H,4-6H2,1-3H3,(H,13,15)/t10-,11+/m0/s1
InChIKeyGNCIDQGMLOBBPO-WDEREUQCSA-N
MW238.29 g/mol
LogP1.13
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide (PubChem CID 99798346) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide
PubChem CID99798346
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide
SMILESCCO[C@@H]1C[C@@H]1NC(=O)Cc1c(C)noc1C
InChIInChI=1S/C12H18N2O3/c1-4-16-11-6-10(11)13-12(15)5-9-7(2)14-17-8(9)3/h10-11H,4-6H2,1-3H3,(H,13,15)/t10-,11+/m0/s1
InChIKeyGNCIDQGMLOBBPO-WDEREUQCSA-N
XLogP1.13
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3S,4S)-1-ethyl-4-methoxypyrrolidin-3-yl]acetamide
CID 122560707
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylcyclohexyl)acetamide
CID 47161510
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-pyrrolidin-1-yloxolan-3-yl]acetamide
CID 122556067
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methyl-5-oxopyrrolidin-3-yl)acetamide
CID 71789161
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1R,2R,3R)-2-hydroxy-3-phenoxycycloheptyl]acetamide
CID 110126070
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4S)-4-(pyridin-4-ylmethyl)oxolan-3-yl]acetamide
CID 135105074
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-4-piperidin-1-yloxolan-3-yl]acetamide
CID 118767384
N-[(3S,4R)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]oxan-4-yl]-2-(4-methylphenyl)acetamide
CID 91782854
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]acetamide
CID 91626469
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 107845762
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3R,4R)-3-[(6-methyl-3-pyridinyl)oxy]oxan-4-yl]acetamide
CID 91777974
N-[2-(dimethylamino)-2-oxoethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 31337042

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide (CID 99798346) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide is CCO[C@@H]1C[C@@H]1NC(=O)Cc1c(C)noc1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide?
The InChIKey is GNCIDQGMLOBBPO-WDEREUQCSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-4-16-11-6-10(11)13-12(15)5-9-7(2)14-17-8(9)3/h10-11H,4-6H2,1-3H3,(H,13,15)/t10-,11+/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide has a molecular weight of 238.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S,2R)-2-ethoxycyclopropyl]acetamide is sourced from PubChem (CID 99798346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).