2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide

C13H16N2O4 — CID 66170629

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CO)CNC(=O)Cc1noc2ccccc12
InChIInChI=1S/C13H16N2O4/c1-13(18,8-16)7-14-12(17)6-10-9-4-2-3-5-11(9)19-15-10/h2-5,16,18H,6-8H2,1H3,(H,14,17)
InChIKeyYRTSBKQPGKJMBR-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.23
Rot. Bonds5

About 2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide

2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide (PubChem CID 66170629) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
PubChem CID66170629
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide
SMILESCC(O)(CO)CNC(=O)Cc1noc2ccccc12
InChIInChI=1S/C13H16N2O4/c1-13(18,8-16)7-14-12(17)6-10-9-4-2-3-5-11(9)19-15-10/h2-5,16,18H,6-8H2,1H3,(H,14,17)
InChIKeyYRTSBKQPGKJMBR-UHFFFAOYSA-N
XLogP0.23
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide (CID 66170629) is 2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide is CC(O)(CO)CNC(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
The InChIKey is YRTSBKQPGKJMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-13(18,8-16)7-14-12(17)6-10-9-4-2-3-5-11(9)19-15-10/h2-5,16,18H,6-8H2,1H3,(H,14,17).
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide?
2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide has a molecular weight of 264.28 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-benzoxazol-3-yl)-N-(2,3-dihydroxy-2-methylpropyl)acetamide is sourced from PubChem (CID 66170629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).