propane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C9H19NO — CID 174826667

IUPACpropane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC=N1.CCC
InChIInChI=1S/C6H11NO.C3H8/c1-5(2)6-3-8-4-7-6;1-3-2/h4-6H,3H2,1-2H3;3H2,1-2H3/t6-;/m1./s1
InChIKeyAZYRDVZTYASBAP-FYZOBXCZSA-N
MW157.26 g/mol
LogP2.49
Rot. Bonds1

About propane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

propane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 174826667) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is propane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Namepropane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID174826667
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Namepropane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC=N1.CCC
InChIInChI=1S/C6H11NO.C3H8/c1-5(2)6-3-8-4-7-6;1-3-2/h4-6H,3H2,1-2H3;3H2,1-2H3/t6-;/m1./s1
InChIKeyAZYRDVZTYASBAP-FYZOBXCZSA-N
XLogP2.49
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of propane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 174826667) is propane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for propane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for propane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC=N1.CCC.
What is the InChIKey of propane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is AZYRDVZTYASBAP-FYZOBXCZSA-N. The full InChI is InChI=1S/C6H11NO.C3H8/c1-5(2)6-3-8-4-7-6;1-3-2/h4-6H,3H2,1-2H3;3H2,1-2H3/t6-;/m1./s1.
What are the key properties of propane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
propane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 157.26 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propane;(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 174826667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).