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

C16H20N2O2 — CID 5308322

IUPAC5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCc2ccccc2)no1
InChIInChI=1S/C16H20N2O2/c1-12(2)10-14-11-15(18-20-14)16(19)17-9-8-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,17,19)
InChIKeyNLDKVZGTYPLOGE-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.85
Rot. Bonds6

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

5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 5308322) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
PubChem CID5308322
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCc2ccccc2)no1
InChIInChI=1S/C16H20N2O2/c1-12(2)10-14-11-15(18-20-14)16(19)17-9-8-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,17,19)
InChIKeyNLDKVZGTYPLOGE-UHFFFAOYSA-N
XLogP2.85
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (CID 5308322) is 5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide is CC(C)Cc1cc(C(=O)NCCc2ccccc2)no1.
What is the InChIKey of 5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is NLDKVZGTYPLOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12(2)10-14-11-15(18-20-14)16(19)17-9-8-13-6-4-3-5-7-13/h3-7,11-12H,8-10H2,1-2H3,(H,17,19).
What are the key properties of 5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 5308322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).