2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide

C11H18N2O4 — CID 114079008

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
SMILESCOCC(CO)NC(=O)Cc1c(C)noc1C
InChIInChI=1S/C11H18N2O4/c1-7-10(8(2)17-13-7)4-11(15)12-9(5-14)6-16-3/h9,14H,4-6H2,1-3H3,(H,12,15)
InChIKeyHGGYWBVRWRCSLE-UHFFFAOYSA-N
MW242.27 g/mol
LogP-0.04
Rot. Bonds6

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide (PubChem CID 114079008) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
PubChem CID114079008
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
SMILESCOCC(CO)NC(=O)Cc1c(C)noc1C
InChIInChI=1S/C11H18N2O4/c1-7-10(8(2)17-13-7)4-11(15)12-9(5-14)6-16-3/h9,14H,4-6H2,1-3H3,(H,12,15)
InChIKeyHGGYWBVRWRCSLE-UHFFFAOYSA-N
XLogP-0.04
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-4-methylpentan-3-yl)acetamide
CID 103751044
(2S,3S)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-3-methylpentanoic acid
CID 61136424
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 107845762
(2R)-2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]amino]-4-methylpentanoic acid
CID 78975585
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(4-methoxyphenyl)propyl]acetamide
CID 43027694
2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-methoxypropanoic acid
CID 81076465
N-(4-hydroxy-1-methoxybutan-2-yl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 103851120
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 18200881
N-[(1R)-1,2-bis(4-methoxyphenyl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 40812290
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-pentan-3-ylacetamide
CID 79241622
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 30272063
N-(2-amino-1-cyclopropylethyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide;hydrochloride
CID 119614131

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide (CID 114079008) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide is COCC(CO)NC(=O)Cc1c(C)noc1C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
The InChIKey is HGGYWBVRWRCSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-7-10(8(2)17-13-7)4-11(15)12-9(5-14)6-16-3/h9,14H,4-6H2,1-3H3,(H,12,15).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide has a molecular weight of 242.27 g/mol, XLogP of -0.04, 6 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-(1-hydroxy-3-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 114079008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).