N-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide

C15H18N2O2 — CID 5307531

IUPACN-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCCc2ccccc2)no1
InChIInChI=1S/C15H18N2O2/c1-2-6-13-11-14(17-19-13)15(18)16-10-9-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,16,18)
InChIKeyPWMNRTLJYVFXIX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.60
Rot. Bonds6

About N-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide

N-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 5307531) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID5307531
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCCc2ccccc2)no1
InChIInChI=1S/C15H18N2O2/c1-2-6-13-11-14(17-19-13)15(18)16-10-9-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,16,18)
InChIKeyPWMNRTLJYVFXIX-UHFFFAOYSA-N
XLogP2.60
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 6477670
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CID 6478231
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5-[2-[(3,4-Dichlorobenzoyl)amino]ethyl]-N-hydroxy-3-isoxazolecarboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide (CID 5307531) is N-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)NCCc2ccccc2)no1.
What is the InChIKey of N-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is PWMNRTLJYVFXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-2-6-13-11-14(17-19-13)15(18)16-10-9-12-7-4-3-5-8-12/h3-5,7-8,11H,2,6,9-10H2,1H3,(H,16,18).
What are the key properties of N-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5307531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).