(5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile

C7H10N2O — CID 99864946

IUPAC(5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile
SMILESCCCC1=NO[C@H](C#N)C1
InChIInChI=1S/C7H10N2O/c1-2-3-6-4-7(5-8)10-9-6/h7H,2-4H2,1H3/t7-/m0/s1
InChIKeyMPESYEXRHUVKHQ-ZETCQYMHSA-N
MW138.17 g/mol
LogP1.45
Rot. Bonds2

About (5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile

(5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile (PubChem CID 99864946) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is (5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile.

Molecular Properties

Compound Name(5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile
PubChem CID99864946
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name(5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile
SMILESCCCC1=NO[C@H](C#N)C1
InChIInChI=1S/C7H10N2O/c1-2-3-6-4-7(5-8)10-9-6/h7H,2-4H2,1H3/t7-/m0/s1
InChIKeyMPESYEXRHUVKHQ-ZETCQYMHSA-N
XLogP1.45
TPSA45.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

((r,s)-3-Methyl-4,5-dihydro-isoxazol-5-yl)-acetonitrile
CID 14586980
3-Isopropyl-4,5-dihydroisoxazole-5-carbonitrile
CID 85731745
3-ethyl-5,6-dihydro-4H-oxazine-6-carbonitrile
CID 11400808
3-Propyl-4,5-dihydroisoxazole-5-carbonitrile
CID 15315218
5-Isoxazolecarbonitrile, 4,5-dihydro-3-methyl-
CID 11434924
5-Methyl-3-propyl-4,5-dihydro-1,2-oxazole
CID 23397000
CID 59694811
CID 59694811
(5R)-5-methyl-3-propyl-4,5-dihydro-1,2-oxazole
CID 68273566
3-(3-Methyl-4,5-dihydro-1,2-oxazol-5-yl)propanenitrile
CID 142566314
N-dodecan-3-yloxypropanimidoyl cyanide
CID 150519498
3-Ethyl-4,5-dihydro-1,2-oxazole-5-carbonitrile
CID 12529296
5-Hexyl-4,5-dihydro-1,2-oxazole-3-carbonitrile
CID 13081531

Frequently Asked Questions

What is the IUPAC name of (5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile?
The IUPAC name of (5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile (CID 99864946) is (5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile.
What is the SMILES notation for (5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile?
The canonical SMILES for (5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile is CCCC1=NO[C@H](C#N)C1.
What is the InChIKey of (5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile?
The InChIKey is MPESYEXRHUVKHQ-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-3-6-4-7(5-8)10-9-6/h7H,2-4H2,1H3/t7-/m0/s1.
What are the key properties of (5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile?
(5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile has a molecular weight of 138.17 g/mol, XLogP of 1.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-propyl-4,5-dihydro-1,2-oxazole-5-carbonitrile is sourced from PubChem (CID 99864946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).