N-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide

C14H17ClN2O2 — CID 141222921

IUPACN-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide
SMILESO=C(NCCCCc1ccc(Cl)cc1)C1C=NOC1
InChIInChI=1S/C14H17ClN2O2/c15-13-6-4-11(5-7-13)3-1-2-8-16-14(18)12-9-17-19-10-12/h4-7,9,12H,1-3,8,10H2,(H,16,18)
InChIKeyLTRSDFFGAWFGAC-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.41
Rot. Bonds6

About N-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide

N-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide (PubChem CID 141222921) has the molecular formula C14H17ClN2O2 and a molecular weight of 280.75 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide
PubChem CID141222921
Molecular FormulaC14H17ClN2O2
Molecular Weight280.75 g/mol
Exact Mass280.10
IUPAC NameN-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide
SMILESO=C(NCCCCc1ccc(Cl)cc1)C1C=NOC1
InChIInChI=1S/C14H17ClN2O2/c15-13-6-4-11(5-7-13)3-1-2-8-16-14(18)12-9-17-19-10-12/h4-7,9,12H,1-3,8,10H2,(H,16,18)
InChIKeyLTRSDFFGAWFGAC-UHFFFAOYSA-N
XLogP2.41
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide (CID 141222921) is N-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide is O=C(NCCCCc1ccc(Cl)cc1)C1C=NOC1.
What is the InChIKey of N-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide?
The InChIKey is LTRSDFFGAWFGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O2/c15-13-6-4-11(5-7-13)3-1-2-8-16-14(18)12-9-17-19-10-12/h4-7,9,12H,1-3,8,10H2,(H,16,18).
What are the key properties of N-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide?
N-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide has a molecular weight of 280.75 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)butyl]-4,5-dihydro-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 141222921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).