N-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C15H20N2O3 — CID 3238064

IUPACN-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCC(C)NC(=O)C1CC(c2ccc(OC)cc2)=NO1
InChIInChI=1S/C15H20N2O3/c1-4-10(2)16-15(18)14-9-13(17-20-14)11-5-7-12(19-3)8-6-11/h5-8,10,14H,4,9H2,1-3H3,(H,16,18)
InChIKeyJRNIZWWEBBJVKN-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.10
Rot. Bonds5

About N-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3238064) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3238064
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCC(C)NC(=O)C1CC(c2ccc(OC)cc2)=NO1
InChIInChI=1S/C15H20N2O3/c1-4-10(2)16-15(18)14-9-13(17-20-14)11-5-7-12(19-3)8-6-11/h5-8,10,14H,4,9H2,1-3H3,(H,16,18)
InChIKeyJRNIZWWEBBJVKN-UHFFFAOYSA-N
XLogP2.10
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3238064) is N-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCC(C)NC(=O)C1CC(c2ccc(OC)cc2)=NO1.
What is the InChIKey of N-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is JRNIZWWEBBJVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-10(2)16-15(18)14-9-13(17-20-14)11-5-7-12(19-3)8-6-11/h5-8,10,14H,4,9H2,1-3H3,(H,16,18).
What are the key properties of N-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3238064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).