(5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H17N3O3 — CID 26320564

IUPAC(5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccon1)[C@@H]1CC(CCc2ccccc2)=NO1
InChIInChI=1S/C16H17N3O3/c20-16(17-11-14-8-9-21-18-14)15-10-13(19-22-15)7-6-12-4-2-1-3-5-12/h1-5,8-9,15H,6-7,10-11H2,(H,17,20)/t15-/m0/s1
InChIKeyQXSPVFRTGXACOT-HNNXBMFYSA-N
MW299.33 g/mol
LogP2.07
Rot. Bonds6

About (5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

(5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 26320564) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is (5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID26320564
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name(5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccon1)[C@@H]1CC(CCc2ccccc2)=NO1
InChIInChI=1S/C16H17N3O3/c20-16(17-11-14-8-9-21-18-14)15-10-13(19-22-15)7-6-12-4-2-1-3-5-12/h1-5,8-9,15H,6-7,10-11H2,(H,17,20)/t15-/m0/s1
InChIKeyQXSPVFRTGXACOT-HNNXBMFYSA-N
XLogP2.07
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 26320564) is (5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(NCc1ccon1)[C@@H]1CC(CCc2ccccc2)=NO1.
What is the InChIKey of (5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is QXSPVFRTGXACOT-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-16(17-11-14-8-9-21-18-14)15-10-13(19-22-15)7-6-12-4-2-1-3-5-12/h1-5,8-9,15H,6-7,10-11H2,(H,17,20)/t15-/m0/s1.
What are the key properties of (5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
(5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(1,2-oxazol-3-ylmethyl)-3-(2-phenylethyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 26320564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).