N-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide

C15H18N2O2 — CID 17253304

IUPACN-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(CC)cc2)no1
InChIInChI=1S/C15H18N2O2/c1-3-5-13-10-14(17-19-13)15(18)16-12-8-6-11(4-2)7-9-12/h6-10H,3-5H2,1-2H3,(H,16,18)
InChIKeyOBLAVOIBWBUNTR-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.44
Rot. Bonds5

About N-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide

N-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide (PubChem CID 17253304) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
PubChem CID17253304
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide
SMILESCCCc1cc(C(=O)Nc2ccc(CC)cc2)no1
InChIInChI=1S/C15H18N2O2/c1-3-5-13-10-14(17-19-13)15(18)16-12-8-6-11(4-2)7-9-12/h6-10H,3-5H2,1-2H3,(H,16,18)
InChIKeyOBLAVOIBWBUNTR-UHFFFAOYSA-N
XLogP3.44
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide (CID 17253304) is N-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide is CCCc1cc(C(=O)Nc2ccc(CC)cc2)no1.
What is the InChIKey of N-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
The InChIKey is OBLAVOIBWBUNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-5-13-10-14(17-19-13)15(18)16-12-8-6-11(4-2)7-9-12/h6-10H,3-5H2,1-2H3,(H,16,18).
What are the key properties of N-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide?
N-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5-propyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 17253304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).