N-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide

C22H22N2O2 — CID 26347309

IUPACN-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide
SMILESC[C@@H](Cc1cc(C(=O)NC2(c3ccccc3)CC2)on1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-16(17-8-4-2-5-9-17)14-19-15-20(26-24-19)21(25)23-22(12-13-22)18-10-6-3-7-11-18/h2-11,15-16H,12-14H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyVGLWTWLOXJFXCI-INIZCTEOSA-N
MW346.43 g/mol
LogP4.44
Rot. Bonds6

About N-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide

N-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide (PubChem CID 26347309) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide
PubChem CID26347309
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC NameN-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide
SMILESC[C@@H](Cc1cc(C(=O)NC2(c3ccccc3)CC2)on1)c1ccccc1
InChIInChI=1S/C22H22N2O2/c1-16(17-8-4-2-5-9-17)14-19-15-20(26-24-19)21(25)23-22(12-13-22)18-10-6-3-7-11-18/h2-11,15-16H,12-14H2,1H3,(H,23,25)/t16-/m0/s1
InChIKeyVGLWTWLOXJFXCI-INIZCTEOSA-N
XLogP4.44
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide (CID 26347309) is N-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide is C[C@@H](Cc1cc(C(=O)NC2(c3ccccc3)CC2)on1)c1ccccc1.
What is the InChIKey of N-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide?
The InChIKey is VGLWTWLOXJFXCI-INIZCTEOSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16(17-8-4-2-5-9-17)14-19-15-20(26-24-19)21(25)23-22(12-13-22)18-10-6-3-7-11-18/h2-11,15-16H,12-14H2,1H3,(H,23,25)/t16-/m0/s1.
What are the key properties of N-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide?
N-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylcyclopropyl)-3-[(2S)-2-phenylpropyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 26347309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).