N-[3-(1,3-benzoxazol-7-yl)propyl]acetamide

C12H14N2O2 — CID 22718532

IUPACN-[3-(1,3-benzoxazol-7-yl)propyl]acetamide
SMILESCC(=O)NCCCc1cccc2ncoc12
InChIInChI=1S/C12H14N2O2/c1-9(15)13-7-3-5-10-4-2-6-11-12(10)16-8-14-11/h2,4,6,8H,3,5,7H2,1H3,(H,13,15)
InChIKeyUVCQHPPYUDDOEQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.90
Rot. Bonds4

About N-[3-(1,3-benzoxazol-7-yl)propyl]acetamide

N-[3-(1,3-benzoxazol-7-yl)propyl]acetamide (PubChem CID 22718532) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is N-[3-(1,3-benzoxazol-7-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(1,3-benzoxazol-7-yl)propyl]acetamide
PubChem CID22718532
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC NameN-[3-(1,3-benzoxazol-7-yl)propyl]acetamide
SMILESCC(=O)NCCCc1cccc2ncoc12
InChIInChI=1S/C12H14N2O2/c1-9(15)13-7-3-5-10-4-2-6-11-12(10)16-8-14-11/h2,4,6,8H,3,5,7H2,1H3,(H,13,15)
InChIKeyUVCQHPPYUDDOEQ-UHFFFAOYSA-N
XLogP1.90
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 60832
CID 60832
CID 51346964
CID 51346964
CID 348698
CID 348698
CID 721040
CID 721040
CID 350189
CID 350189
CID 453443
CID 453443
CID 453444
CID 453444
CID 454420
CID 454420
CID 22718561
CID 22718561
CID 22718564
CID 22718564
CID 9859046
CID 9859046
CID 9970584
CID 9970584

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzoxazol-7-yl)propyl]acetamide?
The IUPAC name of N-[3-(1,3-benzoxazol-7-yl)propyl]acetamide (CID 22718532) is N-[3-(1,3-benzoxazol-7-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(1,3-benzoxazol-7-yl)propyl]acetamide?
The canonical SMILES for N-[3-(1,3-benzoxazol-7-yl)propyl]acetamide is CC(=O)NCCCc1cccc2ncoc12.
What is the InChIKey of N-[3-(1,3-benzoxazol-7-yl)propyl]acetamide?
The InChIKey is UVCQHPPYUDDOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-9(15)13-7-3-5-10-4-2-6-11-12(10)16-8-14-11/h2,4,6,8H,3,5,7H2,1H3,(H,13,15).
What are the key properties of N-[3-(1,3-benzoxazol-7-yl)propyl]acetamide?
N-[3-(1,3-benzoxazol-7-yl)propyl]acetamide has a molecular weight of 218.26 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzoxazol-7-yl)propyl]acetamide is sourced from PubChem (CID 22718532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).