5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide

C18H20N2O3 — CID 124737099

IUPAC5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ncoc1[C@H]1CCCO1
InChIInChI=1S/C18H20N2O3/c21-18(16-17(23-11-20-16)15-7-4-8-22-15)19-10-13-9-14(13)12-5-2-1-3-6-12/h1-3,5-6,11,13-15H,4,7-10H2,(H,19,21)/t13-,14-,15+/m0/s1
InChIKeyPNYXGLCAENMAJL-SOUVJXGZSA-N
MW312.37 g/mol
LogP3.06
Rot. Bonds5

About 5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide

5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 124737099) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID124737099
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide
SMILESO=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ncoc1[C@H]1CCCO1
InChIInChI=1S/C18H20N2O3/c21-18(16-17(23-11-20-16)15-7-4-8-22-15)19-10-13-9-14(13)12-5-2-1-3-6-12/h1-3,5-6,11,13-15H,4,7-10H2,(H,19,21)/t13-,14-,15+/m0/s1
InChIKeyPNYXGLCAENMAJL-SOUVJXGZSA-N
XLogP3.06
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide with MolForge

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Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
CID 111386281
3-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid
CID 125147615
(2S)-2-benzyl-3-[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 125152186
2-benzyl-3-[[5-(oxolan-2-yl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 119233820
N-[(2-cyclobutyloxyphenyl)methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
CID 71930731
[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4S)-4-phenylazepan-1-yl]methanone
CID 97015113
[5-[(2R)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97015114
[5-[(2S)-oxolan-2-yl]-1,3-oxazol-4-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97015112
2-[[[5-(oxolan-2-yl)-1,3-oxazole-4-carbonyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119245130
2-methoxy-5-[[[5-[(2R)-oxolan-2-yl]-1,3-oxazole-4-carbonyl]amino]methyl]benzoic acid
CID 125153535
N-[[4-(dimethylamino)oxan-4-yl]methyl]-5-(oxolan-2-yl)-1,3-oxazole-4-carboxamide
CID 139001510
5-[(2R)-oxolan-2-yl]-N-[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cycloheptyl]-1,3-oxazole-4-carboxamide
CID 98856027

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide (CID 124737099) is 5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide is O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ncoc1[C@H]1CCCO1.
What is the InChIKey of 5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is PNYXGLCAENMAJL-SOUVJXGZSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-18(16-17(23-11-20-16)15-7-4-8-22-15)19-10-13-9-14(13)12-5-2-1-3-6-12/h1-3,5-6,11,13-15H,4,7-10H2,(H,19,21)/t13-,14-,15+/m0/s1.
What are the key properties of 5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide?
5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-oxolan-2-yl]-N-[[(1R,2R)-2-phenylcyclopropyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 124737099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).