2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

C15H20N2O3 — CID 61039197

IUPAC2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C15H20N2O3/c1-11(2)17(8-5-9-18)15(19)10-13-12-6-3-4-7-14(12)20-16-13/h3-4,6-7,11,18H,5,8-10H2,1-2H3
InChIKeyTUIWQPRCKSJPHM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.99
Rot. Bonds6

About 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide

2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (PubChem CID 61039197) 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-hydroxypropyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
PubChem CID61039197
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCCO)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C15H20N2O3/c1-11(2)17(8-5-9-18)15(19)10-13-12-6-3-4-7-14(12)20-16-13/h3-4,6-7,11,18H,5,8-10H2,1-2H3
InChIKeyTUIWQPRCKSJPHM-UHFFFAOYSA-N
XLogP1.99
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide (CID 61039197) is 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide is CC(C)N(CCCO)C(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
The InChIKey is TUIWQPRCKSJPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11(2)17(8-5-9-18)15(19)10-13-12-6-3-4-7-14(12)20-16-13/h3-4,6-7,11,18H,5,8-10H2,1-2H3.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide?
2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide has a molecular weight of 276.34 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 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-hydroxypropyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 61039197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).