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

C19H19N3O2 — CID 5103089

IUPAC2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NC(c2ccccc2)c2ccccc2)co1
InChIInChI=1S/C19H19N3O2/c1-13(20)19-21-16(12-24-19)18(23)22-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,17H,20H2,1H3,(H,22,23)
InChIKeyNFTVMBQWAWPZEI-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.21
Rot. Bonds5

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

2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide (PubChem CID 5103089) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
PubChem CID5103089
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NC(c2ccccc2)c2ccccc2)co1
InChIInChI=1S/C19H19N3O2/c1-13(20)19-21-16(12-24-19)18(23)22-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,17H,20H2,1H3,(H,22,23)
InChIKeyNFTVMBQWAWPZEI-UHFFFAOYSA-N
XLogP3.21
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-3-methylbutyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 3821910
2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide
CID 3672043
benzyl 2-[[2-(1-aminoethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
CID 5103806
2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 3835810
2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
CID 5017733
2-(1-amino-2-phenylethyl)-N-(3-methylbutan-2-yl)-1,3-oxazole-4-carboxamide
CID 3869671
2-(1-aminoethyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
CID 5182510
2-(1-amino-2-methylpropyl)-N-(1-amino-1-oxo-3-phenylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 3836314
2-(1-amino-2-methylpropyl)-N-[1-(4-bromophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3850439
benzyl 2-[[2-(1-amino-2-phenylethyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate
CID 3798181
N-benzhydryl-6-methylpyrazine-2-carboxamide
CID 146075272
benzyl 2-[[2-(1-amino-3-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-methylbutanoate
CID 3798249

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide (CID 5103089) is 2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide is CC(N)c1nc(C(=O)NC(c2ccccc2)c2ccccc2)co1.
What is the InChIKey of 2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide?
The InChIKey is NFTVMBQWAWPZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13(20)19-21-16(12-24-19)18(23)22-17(14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-13,17H,20H2,1H3,(H,22,23).
What are the key properties of 2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide?
2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 5103089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).