(4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone

C14H19NO3 — CID 113375601

IUPAC(4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone
SMILESCCCCOc1ccc(C(=O)N2CCCO2)cc1
InChIInChI=1S/C14H19NO3/c1-2-3-10-17-13-7-5-12(6-8-13)14(16)15-9-4-11-18-15/h5-8H,2-4,9-11H2,1H3
InChIKeyCJRNWPJIDUNHRA-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.64
Rot. Bonds5

About (4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone

(4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone (PubChem CID 113375601) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone.

Molecular Properties

Compound Name(4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone
PubChem CID113375601
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name(4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone
SMILESCCCCOc1ccc(C(=O)N2CCCO2)cc1
InChIInChI=1S/C14H19NO3/c1-2-3-10-17-13-7-5-12(6-8-13)14(16)15-9-4-11-18-15/h5-8H,2-4,9-11H2,1H3
InChIKeyCJRNWPJIDUNHRA-UHFFFAOYSA-N
XLogP2.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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[2-(aminomethyl)pyrrolidin-1-yl]-(4-butoxyphenyl)methanone;hydrochloride
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4-butoxybenzoic acid;(2S)-oxolane-2-carboxylic acid
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(4-butoxyphenyl)-(2-methyl-1,3-thiazolidin-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of (4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone?
The IUPAC name of (4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone (CID 113375601) is (4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone.
What is the SMILES notation for (4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone?
The canonical SMILES for (4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone is CCCCOc1ccc(C(=O)N2CCCO2)cc1.
What is the InChIKey of (4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone?
The InChIKey is CJRNWPJIDUNHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-3-10-17-13-7-5-12(6-8-13)14(16)15-9-4-11-18-15/h5-8H,2-4,9-11H2,1H3.
What are the key properties of (4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone?
(4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone has a molecular weight of 249.31 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butoxyphenyl)-(1,2-oxazolidin-2-yl)methanone is sourced from PubChem (CID 113375601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).