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

C15H20N2O3 — CID 3243030

IUPACN,N-diethyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CC(c2ccc(OC)cc2)=NO1
InChIInChI=1S/C15H20N2O3/c1-4-17(5-2)15(18)14-10-13(16-20-14)11-6-8-12(19-3)9-7-11/h6-9,14H,4-5,10H2,1-3H3
InChIKeyKYJWQRJJLATIFH-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.06
Rot. Bonds5

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

N,N-diethyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3243030) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N,N-diethyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3243030
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN,N-diethyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCN(CC)C(=O)C1CC(c2ccc(OC)cc2)=NO1
InChIInChI=1S/C15H20N2O3/c1-4-17(5-2)15(18)14-10-13(16-20-14)11-6-8-12(19-3)9-7-11/h6-9,14H,4-5,10H2,1-3H3
InChIKeyKYJWQRJJLATIFH-UHFFFAOYSA-N
XLogP2.06
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N,N-diethyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3243030) is N,N-diethyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N,N-diethyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N,N-diethyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCN(CC)C(=O)C1CC(c2ccc(OC)cc2)=NO1.
What is the InChIKey of N,N-diethyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is KYJWQRJJLATIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-4-17(5-2)15(18)14-10-13(16-20-14)11-6-8-12(19-3)9-7-11/h6-9,14H,4-5,10H2,1-3H3.
What are the key properties of N,N-diethyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N,N-diethyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3243030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).