2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide

C22H25N3O3 — CID 5017733

IUPAC2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
SMILESCC(O)C(N)c1nc(C(=O)NCCC(c2ccccc2)c2ccccc2)co1
InChIInChI=1S/C22H25N3O3/c1-15(26)20(23)22-25-19(14-28-22)21(27)24-13-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14-15,18,20,26H,12-13,23H2,1H3,(H,24,27)
InChIKeyRNICLEQSKDADNZ-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.01
Rot. Bonds8

About 2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide

2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide (PubChem CID 5017733) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
PubChem CID5017733
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide
SMILESCC(O)C(N)c1nc(C(=O)NCCC(c2ccccc2)c2ccccc2)co1
InChIInChI=1S/C22H25N3O3/c1-15(26)20(23)22-25-19(14-28-22)21(27)24-13-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14-15,18,20,26H,12-13,23H2,1H3,(H,24,27)
InChIKeyRNICLEQSKDADNZ-UHFFFAOYSA-N
XLogP3.01
TPSA101.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide
CID 3672043
2-(1-amino-2-hydroxypropyl)-N-dodecyl-1,3-oxazole-4-carboxamide
CID 3868123
2-(1-amino-2-hydroxypropyl)-N-heptyl-1,3-oxazole-4-carboxamide
CID 3868124
2-(1-amino-2-hydroxypropyl)-N-[(2-bromophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5018208
2-(1-amino-2-hydroxypropyl)-N-(2-morpholin-4-ylethyl)-1,3-oxazole-4-carboxamide
CID 3829164
benzyl N-[3-[[2-(1-amino-2-methylpropyl)-1,3-oxazole-4-carbonyl]amino]propyl]carbamate
CID 3850448
2-(1-aminoethyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 5103089
2-(1-amino-2-hydroxypropyl)-N-(2-ethylhexyl)-1,3-oxazole-4-carboxamide
CID 3844290
2-(1-amino-2-hydroxypropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3780465
2-(1-amino-2-methylpropyl)-N-[2-(2-chlorophenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 3828610
2-(1-amino-3-methylbutyl)-N-(3-methylbutyl)-1,3-oxazole-4-carboxamide
CID 3866540
2-(1-amino-2-hydroxypropyl)-N-cyclobutyl-1,3-oxazole-4-carboxamide
CID 3308744

Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide (CID 5017733) is 2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide is CC(O)C(N)c1nc(C(=O)NCCC(c2ccccc2)c2ccccc2)co1.
What is the InChIKey of 2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide?
The InChIKey is RNICLEQSKDADNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(26)20(23)22-25-19(14-28-22)21(27)24-13-12-18(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,14-15,18,20,26H,12-13,23H2,1H3,(H,24,27).
What are the key properties of 2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide?
2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.01, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2-hydroxypropyl)-N-(3,3-diphenylpropyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 5017733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).