2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide

C20H21N3O2 — CID 3672043

IUPAC2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NCC(c2ccccc2)c2ccccc2)co1
InChIInChI=1S/C20H21N3O2/c1-14(21)20-23-18(13-25-20)19(24)22-12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,13-14,17H,12,21H2,1H3,(H,22,24)
InChIKeyISAXCTZFWIQGFI-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.26
Rot. Bonds6

About 2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide

2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 3672043) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide
PubChem CID3672043
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NCC(c2ccccc2)c2ccccc2)co1
InChIInChI=1S/C20H21N3O2/c1-14(21)20-23-18(13-25-20)19(24)22-12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,13-14,17H,12,21H2,1H3,(H,22,24)
InChIKeyISAXCTZFWIQGFI-UHFFFAOYSA-N
XLogP3.26
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 5103089
2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
CID 5017733
benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
CID 5103806
2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 3821910
2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3801520
2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 5165501
2-(1-aminoethyl)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3801530
2-(1-aminoethyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
CID 5182510
2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3841739
2-(1-amino-2-methylpropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3836320
2-(1-amino-2-methylpropyl)-N-(pyridin-2-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3857442
2-(1-amino-2-hydroxypropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5018208

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide (CID 3672043) is 2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide is CC(N)c1nc(C(=O)NCC(c2ccccc2)c2ccccc2)co1.
What is the InChIKey of 2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ISAXCTZFWIQGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14(21)20-23-18(13-25-20)19(24)22-12-17(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,13-14,17H,12,21H2,1H3,(H,22,24).
What are the key properties of 2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide?
2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 335.41 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3672043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).