N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide

C13H22N2O3 — CID 109380934

IUPACN-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)Cc1ccon1
InChIInChI=1S/C13H22N2O3/c1-9(2)12(17)13(3,4)8-14-11(16)7-10-5-6-18-15-10/h5-6,9,12,17H,7-8H2,1-4H3,(H,14,16)
InChIKeyXHXSEUQUPPLQDX-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.38
Rot. Bonds6

About N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide

N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide (PubChem CID 109380934) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide
PubChem CID109380934
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC NameN-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide
SMILESCC(C)C(O)C(C)(C)CNC(=O)Cc1ccon1
InChIInChI=1S/C13H22N2O3/c1-9(2)12(17)13(3,4)8-14-11(16)7-10-5-6-18-15-10/h5-6,9,12,17H,7-8H2,1-4H3,(H,14,16)
InChIKeyXHXSEUQUPPLQDX-UHFFFAOYSA-N
XLogP1.38
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxy-2,2,4-trimethylpentyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 109381223
2-(1,2-oxazol-3-yl)-N-prop-2-ynylacetamide
CID 131134519
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 109381177
N-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]-2-methylfuran-3-carboxamide
CID 109389252
1-N-(3-hydroxy-2,2,4-trimethylpentyl)-4-N,4-N-dimethylbenzene-1,4-dicarboxamide
CID 109381099
N-(3-hydroxy-2,2,4-trimethylpentyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 109380773
N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
CID 97227840
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851
2-(1,2-oxazol-3-yl)-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]acetamide
CID 129003376
N-[4-[2-[(3-hydroxy-2,2,4-trimethylpentyl)amino]-2-oxoethyl]phenyl]cyclopropanecarboxamide
CID 109381149
N-(furan-2-ylmethyl)-2-(1,2-oxazol-3-yl)acetamide
CID 110850493
(2S)-4-methyl-2-[[2-(1,2-oxazol-3-yl)acetyl]amino]pentanoic acid
CID 119360778

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide (CID 109380934) is N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide is CC(C)C(O)C(C)(C)CNC(=O)Cc1ccon1.
What is the InChIKey of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide?
The InChIKey is XHXSEUQUPPLQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-9(2)12(17)13(3,4)8-14-11(16)7-10-5-6-18-15-10/h5-6,9,12,17H,7-8H2,1-4H3,(H,14,16).
What are the key properties of N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide?
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide has a molecular weight of 254.33 g/mol, XLogP of 1.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 109380934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).