2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide

C15H18N2O4 — CID 107302063

IUPAC2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCC1OCCC1(O)CNC(=O)Cc1noc2ccccc12
InChIInChI=1S/C15H18N2O4/c1-10-15(19,6-7-20-10)9-16-14(18)8-12-11-4-2-3-5-13(11)21-17-12/h2-5,10,19H,6-9H2,1H3,(H,16,18)
InChIKeySYPVWJUWKMLKQM-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.03
Rot. Bonds4

About 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide

2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (PubChem CID 107302063) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
PubChem CID107302063
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
SMILESCC1OCCC1(O)CNC(=O)Cc1noc2ccccc12
InChIInChI=1S/C15H18N2O4/c1-10-15(19,6-7-20-10)9-16-14(18)8-12-11-4-2-3-5-13(11)21-17-12/h2-5,10,19H,6-9H2,1H3,(H,16,18)
InChIKeySYPVWJUWKMLKQM-UHFFFAOYSA-N
XLogP1.03
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-[[(1S,2R)-2-ethylsulfanyl-1-hydroxycyclobutyl]methyl]acetamide
CID 95972417
1-[[[2-(1,2-benzoxazol-3-yl)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449783
2-(4-aminophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 106099096
2-(3,4-dimethylphenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301485
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
CID 66170629
2-(2,4-dichlorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301999
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]quinoline-5-carboxamide
CID 107302188
2-(1,2-benzoxazol-3-yl)-N-[(2R,3S,4S)-3-hydroxy-2-(hydroxymethyl)oxan-4-yl]acetamide
CID 154569542
2-(1,2-benzoxazol-3-yl)-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]acetamide
CID 98513197
2-(1,2-benzoxazol-3-yl)-N-[(2S)-2-(4-methylpiperidin-1-yl)propyl]acetamide
CID 94819513
4-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzene-1,4-dicarboxamide
CID 107302150

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide (CID 107302063) is 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is CC1OCCC1(O)CNC(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
The InChIKey is SYPVWJUWKMLKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10-15(19,6-7-20-10)9-16-14(18)8-12-11-4-2-3-5-13(11)21-17-12/h2-5,10,19H,6-9H2,1H3,(H,16,18).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide?
2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide has a molecular weight of 290.32 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide is sourced from PubChem (CID 107302063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).