(5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide

C15H20N2O3 — CID 97465461

IUPAC(5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCOCCCNC(=O)[C@]1(C)CC(c2ccccc2)=NO1
InChIInChI=1S/C15H20N2O3/c1-15(14(18)16-9-6-10-19-2)11-13(17-20-15)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,16,18)/t15-/m0/s1
InChIKeyPYCASJNKFZAESN-HNNXBMFYSA-N
MW276.34 g/mol
LogP1.72
Rot. Bonds6

About (5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide

(5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465461) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is (5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
PubChem CID97465461
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name(5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
SMILESCOCCCNC(=O)[C@]1(C)CC(c2ccccc2)=NO1
InChIInChI=1S/C15H20N2O3/c1-15(14(18)16-9-6-10-19-2)11-13(17-20-15)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,16,18)/t15-/m0/s1
InChIKeyPYCASJNKFZAESN-HNNXBMFYSA-N
XLogP1.72
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5S)-3-(4-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815902
(5R)-3-(2-fluorophenyl)-N-(3-methoxypropyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465411
(5S)-5-methyl-3-phenyl-N-(2-phenylethyl)-4H-1,2-oxazole-5-carboxamide
CID 97465490
5-methyl-3-phenyl-N-(2-pyridin-2-ylethyl)-4H-1,2-oxazole-5-carboxamide
CID 126821084
(5R)-N,5-dimethyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051944
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 16673219
(5R)-3-(2-methoxyphenyl)-5-methyl-N-propyl-4H-1,2-oxazole-5-carboxamide
CID 97465817
(5R)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxylate
CID 7446724
5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 53016965
(5S)-N-(2-fluorophenyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide
CID 95051970
(5R)-3-(3-fluorophenyl)-5-methyl-N-(3-pyrazol-1-ylpropyl)-4H-1,2-oxazole-5-carboxamide
CID 97465778
(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815919

Frequently Asked Questions

What is the IUPAC name of (5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide (CID 97465461) is (5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is COCCCNC(=O)[C@]1(C)CC(c2ccccc2)=NO1.
What is the InChIKey of (5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is PYCASJNKFZAESN-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(14(18)16-9-6-10-19-2)11-13(17-20-15)12-7-4-3-5-8-12/h3-5,7-8H,6,9-11H2,1-2H3,(H,16,18)/t15-/m0/s1.
What are the key properties of (5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide?
(5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-(3-methoxypropyl)-5-methyl-3-phenyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).