(5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

C17H17N3O3 — CID 94538958

IUPAC(5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCCOc1ncccc1NC(=O)C1=NO[C@H](c2ccccc2)C1
InChIInChI=1S/C17H17N3O3/c1-2-22-17-13(9-6-10-18-17)19-16(21)14-11-15(23-20-14)12-7-4-3-5-8-12/h3-10,15H,2,11H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyZLFKFZPBIMJFQD-HNNXBMFYSA-N
MW311.34 g/mol
LogP2.94
Rot. Bonds5

About (5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide

(5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (PubChem CID 94538958) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name(5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
PubChem CID94538958
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
SMILESCCOc1ncccc1NC(=O)C1=NO[C@H](c2ccccc2)C1
InChIInChI=1S/C17H17N3O3/c1-2-22-17-13(9-6-10-18-17)19-16(21)14-11-15(23-20-14)12-7-4-3-5-8-12/h3-10,15H,2,11H2,1H3,(H,19,21)/t15-/m0/s1
InChIKeyZLFKFZPBIMJFQD-HNNXBMFYSA-N
XLogP2.94
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5R)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94538959
5-phenyl-N-pyridin-2-yl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167954246
N'-(4-ethoxybenzoyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbohydrazide
CID 55863429
5-phenyl-N-[2-(pyrazol-1-ylmethyl)phenyl]-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 56797332
5-phenyl-N-(2-propan-2-yl-4-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 167979333
N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 75405445
N-[[2-(3-fluorophenoxy)-3-pyridinyl]methyl]-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 55862938
2-(cyclopropylamino)-N-(2-ethoxy-3-pyridinyl)acetamide
CID 54923945
(2R,5S)-5-[(2-ethoxy-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 102944715
(5S)-N-(2-benzamidoethyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide
CID 94538881
methyl 4-[[(5R)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]butanoate
CID 94463007
N-(2-ethoxy-3-pyridinyl)cyclohexanecarboxamide
CID 34958678

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The IUPAC name of (5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide (CID 94538958) is (5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide.
What is the SMILES notation for (5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The canonical SMILES for (5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is CCOc1ncccc1NC(=O)C1=NO[C@H](c2ccccc2)C1.
What is the InChIKey of (5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
The InChIKey is ZLFKFZPBIMJFQD-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-22-17-13(9-6-10-18-17)19-16(21)14-11-15(23-20-14)12-7-4-3-5-8-12/h3-10,15H,2,11H2,1H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide?
(5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(2-ethoxy-3-pyridinyl)-5-phenyl-4,5-dihydro-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 94538958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).