2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

C12H18N2O4 — CID 103849554

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCC1(O)CCOC1
InChIInChI=1S/C12H18N2O4/c1-8-10(9(2)18-14-8)5-11(15)13-6-12(16)3-4-17-7-12/h16H,3-7H2,1-2H3,(H,13,15)
InChIKeyLWJPFUHOUQIOQJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.10
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide (PubChem CID 103849554) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
PubChem CID103849554
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
SMILESCc1noc(C)c1CC(=O)NCC1(O)CCOC1
InChIInChI=1S/C12H18N2O4/c1-8-10(9(2)18-14-8)5-11(15)13-6-12(16)3-4-17-7-12/h16H,3-7H2,1-2H3,(H,13,15)
InChIKeyLWJPFUHOUQIOQJ-UHFFFAOYSA-N
XLogP0.10
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106102844
3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 103848731
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 124963569
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-hydroxyoxan-4-yl)methyl]acetamide
CID 81130743
2-chloro-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 106765719
N-[(3-hydroxyoxolan-3-yl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103849795
2-(4-bromophenyl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 113337956
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 136521180
3-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]propanoic acid
CID 16770026
3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 129471324
3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol
CID 104925043

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide (CID 103849554) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide is Cc1noc(C)c1CC(=O)NCC1(O)CCOC1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
The InChIKey is LWJPFUHOUQIOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8-10(9(2)18-14-8)5-11(15)13-6-12(16)3-4-17-7-12/h16H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide has a molecular weight of 254.29 g/mol, XLogP of 0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 103849554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).