2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide

C15H20N2O3 — CID 111461213

IUPAC2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)C(O)CCNC(=O)Cc1noc2ccccc12
InChIInChI=1S/C15H20N2O3/c1-10(2)13(18)7-8-16-15(19)9-12-11-5-3-4-6-14(11)20-17-12/h3-6,10,13,18H,7-9H2,1-2H3,(H,16,19)
InChIKeyOIYWYZRNKBGCRE-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.89
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide (PubChem CID 111461213) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
PubChem CID111461213
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide
SMILESCC(C)C(O)CCNC(=O)Cc1noc2ccccc12
InChIInChI=1S/C15H20N2O3/c1-10(2)13(18)7-8-16-15(19)9-12-11-5-3-4-6-14(11)20-17-12/h3-6,10,13,18H,7-9H2,1-2H3,(H,16,19)
InChIKeyOIYWYZRNKBGCRE-UHFFFAOYSA-N
XLogP1.89
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-[(2R)-2-(ethylamino)propyl]acetamide;hydrochloride
CID 120650034
N-(3-hydroxy-4-methylpentyl)-2-(2-hydroxyphenyl)acetamide
CID 111662196
2-(1,2-benzoxazol-3-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103730689
2-(1,2-benzoxazol-3-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]acetamide
CID 22519759
2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide
CID 22519768
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-(1,2-benzoxazol-3-yl)-N-[2-(1-propan-2-ylpiperidin-3-yl)ethyl]acetamide
CID 56703214
2-(1,2-benzoxazol-3-yl)-N-[2-methyl-1-(4-propan-2-ylphenyl)propyl]acetamide
CID 18203969
(2S)-2-[[2-[[2-(1,2-benzoxazol-3-yl)acetyl]amino]acetyl]amino]-4-methylpentanoic acid
CID 120694728
2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170629
N-(4-azidobutyl)-2-(1,2-benzoxazol-3-yl)acetamide
CID 106386734

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide (CID 111461213) is 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide is CC(C)C(O)CCNC(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide?
The InChIKey is OIYWYZRNKBGCRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10(2)13(18)7-8-16-15(19)9-12-11-5-3-4-6-14(11)20-17-12/h3-6,10,13,18H,7-9H2,1-2H3,(H,16,19).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide has a molecular weight of 276.34 g/mol, XLogP of 1.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxy-4-methylpentyl)acetamide is sourced from PubChem (CID 111461213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).