2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide

C15H19N3O3 — CID 3801530

IUPAC2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2coc(C(C)N)n2)c1
InChIInChI=1S/C15H19N3O3/c1-10(16)15-18-13(9-21-15)14(19)17-7-6-11-4-3-5-12(8-11)20-2/h3-5,8-10H,6-7,16H2,1-2H3,(H,17,19)
InChIKeyYEKXBOBPYCZWOX-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.68
Rot. Bonds6

About 2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide

2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 3801530) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
PubChem CID3801530
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
SMILESCOc1cccc(CCNC(=O)c2coc(C(C)N)n2)c1
InChIInChI=1S/C15H19N3O3/c1-10(16)15-18-13(9-21-15)14(19)17-7-6-11-4-3-5-12(8-11)20-2/h3-5,8-10H,6-7,16H2,1-2H3,(H,17,19)
InChIKeyYEKXBOBPYCZWOX-UHFFFAOYSA-N
XLogP1.68
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-carbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 90515219
2-(cyclopropanecarbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 121110596
2-(1-amino-2-hydroxyethyl)-N-[2-(3-fluorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3789916
2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109098644
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351358
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361970
2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide
CID 109098650
2-bromo-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 107906044
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-1,3-benzoxazole-5-carboxamide
CID 110387937
N-[2-(3-methoxyphenyl)ethyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181240
2-chloro-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 103881563

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide (CID 3801530) is 2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide is COc1cccc(CCNC(=O)c2coc(C(C)N)n2)c1.
What is the InChIKey of 2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is YEKXBOBPYCZWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-10(16)15-18-13(9-21-15)14(19)17-7-6-11-4-3-5-12(8-11)20-2/h3-5,8-10H,6-7,16H2,1-2H3,(H,17,19).
What are the key properties of 2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide?
2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 289.34 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3801530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).