4-butoxy-N-(1,2-oxazol-3-yl)benzamide

C14H16N2O3 — CID 25236391

IUPAC4-butoxy-N-(1,2-oxazol-3-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccon2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-3-9-18-12-6-4-11(5-7-12)14(17)15-13-8-10-19-16-13/h4-8,10H,2-3,9H2,1H3,(H,15,16,17)
InChIKeyLGMNYRMYWJWCFJ-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.11
Rot. Bonds6

About 4-butoxy-N-(1,2-oxazol-3-yl)benzamide

4-butoxy-N-(1,2-oxazol-3-yl)benzamide (PubChem CID 25236391) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 4-butoxy-N-(1,2-oxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-butoxy-N-(1,2-oxazol-3-yl)benzamide
PubChem CID25236391
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name4-butoxy-N-(1,2-oxazol-3-yl)benzamide
SMILESCCCCOc1ccc(C(=O)Nc2ccon2)cc1
InChIInChI=1S/C14H16N2O3/c1-2-3-9-18-12-6-4-11(5-7-12)14(17)15-13-8-10-19-16-13/h4-8,10H,2-3,9H2,1H3,(H,15,16,17)
InChIKeyLGMNYRMYWJWCFJ-UHFFFAOYSA-N
XLogP3.11
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-N-(6-chloropyridazin-3-yl)benzamide
CID 115608608
4-butoxy-N-(2-chloro-4-pyridinyl)benzamide
CID 103606840
N-(4-methyl-1,2,5-oxadiazol-3-yl)-4-pentoxybenzamide
CID 17012565
3,4-dimethoxy-N-(1,2-oxazol-3-yl)benzamide
CID 17217711
N-(4-benzamidophenyl)-4-butoxybenzamide
CID 17235408
4-[(4-butoxybenzoyl)amino]-N-methylbenzamide
CID 9164625
6-(methylamino)-N-(1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 62903794
4-pentoxybenzohydrazide
CID 2727702
N'-(4-butoxybenzoyl)-4-ethoxybenzohydrazide
CID 7979581
4-butoxy-N-(1H-imidazol-2-yl)benzamide
CID 60968641
4-propoxy-N-pyrazin-2-ylbenzamide
CID 71727773
4-butoxy-N-(1H-pyrazol-5-yl)benzamide
CID 61393698

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-N-(1,2-oxazol-3-yl)benzamide?
The IUPAC name of 4-butoxy-N-(1,2-oxazol-3-yl)benzamide (CID 25236391) is 4-butoxy-N-(1,2-oxazol-3-yl)benzamide.
What is the SMILES notation for 4-butoxy-N-(1,2-oxazol-3-yl)benzamide?
The canonical SMILES for 4-butoxy-N-(1,2-oxazol-3-yl)benzamide is CCCCOc1ccc(C(=O)Nc2ccon2)cc1.
What is the InChIKey of 4-butoxy-N-(1,2-oxazol-3-yl)benzamide?
The InChIKey is LGMNYRMYWJWCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-2-3-9-18-12-6-4-11(5-7-12)14(17)15-13-8-10-19-16-13/h4-8,10H,2-3,9H2,1H3,(H,15,16,17).
What are the key properties of 4-butoxy-N-(1,2-oxazol-3-yl)benzamide?
4-butoxy-N-(1,2-oxazol-3-yl)benzamide has a molecular weight of 260.29 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-N-(1,2-oxazol-3-yl)benzamide is sourced from PubChem (CID 25236391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).