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

C14H18N2O3 — CID 43572973

IUPAC2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C14H18N2O3/c1-10(2)16(7-8-17)14(18)9-12-11-5-3-4-6-13(11)19-15-12/h3-6,10,17H,7-9H2,1-2H3
InChIKeyKOGNYOAFIDBSQA-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.60
Rot. Bonds5

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

2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (PubChem CID 43572973) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
PubChem CID43572973
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide
SMILESCC(C)N(CCO)C(=O)Cc1noc2ccccc12
InChIInChI=1S/C14H18N2O3/c1-10(2)16(7-8-17)14(18)9-12-11-5-3-4-6-13(11)19-15-12/h3-6,10,17H,7-9H2,1-2H3
InChIKeyKOGNYOAFIDBSQA-UHFFFAOYSA-N
XLogP1.60
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1,2-benzoxazol-3-yl)-N-(3-hydroxypropyl)-N-propan-2-ylacetamide
CID 61039197
2-(1,2-benzoxazol-3-yl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 113337577
2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115772705
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-(2-hydroxyethyl)acetamide
CID 78855126
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-butan-2-ylamino]acetic acid
CID 60828052
N-(1-aminopropan-2-yl)-2-(1,2-benzoxazol-3-yl)-N-methylacetamide
CID 119585056
2-(1,2-benzoxazol-3-yl)-N,N-bis(2-methoxyethyl)acetamide
CID 86907964
3-[[2-(1,2-benzoxazol-3-yl)acetyl]-methylamino]propanoic acid
CID 60988386
2-[[2-(1,2-benzoxazol-3-yl)acetyl]-cyclopropylamino]propanoic acid
CID 119203511
2-(1,2-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 15167155
2-(1,2-benzoxazol-3-yl)-N-benzyl-N-methylacetamide
CID 22519666
2-(1,2-benzoxazol-3-yl)-N-[3-[benzyl(propan-2-yl)amino]propyl]acetamide
CID 22519768

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The IUPAC name of 2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide (CID 43572973) is 2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide is CC(C)N(CCO)C(=O)Cc1noc2ccccc12.
What is the InChIKey of 2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
The InChIKey is KOGNYOAFIDBSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(2)16(7-8-17)14(18)9-12-11-5-3-4-6-13(11)19-15-12/h3-6,10,17H,7-9H2,1-2H3.
What are the key properties of 2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide?
2-(1,2-benzoxazol-3-yl)-N-(2-hydroxyethyl)-N-propan-2-ylacetamide has a molecular weight of 262.31 g/mol, XLogP of 1.60, 5 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-(2-hydroxyethyl)-N-propan-2-ylacetamide is sourced from PubChem (CID 43572973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).