benzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole

C13H19NO — CID 143617844

IUPACbenzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1CC(C)=NO1.c1ccccc1
InChIInChI=1S/C7H13NO.C6H6/c1-3-4-7-5-6(2)8-9-7;1-2-4-6-5-3-1/h7H,3-5H2,1-2H3;1-6H
InChIKeyOEUDAJHGJWKFIN-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.64
Rot. Bonds2

About benzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole

benzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole (PubChem CID 143617844) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is benzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Namebenzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole
PubChem CID143617844
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Namebenzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1CC(C)=NO1.c1ccccc1
InChIInChI=1S/C7H13NO.C6H6/c1-3-4-7-5-6(2)8-9-7;1-2-4-6-5-3-1/h7H,3-5H2,1-2H3;1-6H
InChIKeyOEUDAJHGJWKFIN-UHFFFAOYSA-N
XLogP3.64
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of benzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole (CID 143617844) is benzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for benzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for benzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole is CCCC1CC(C)=NO1.c1ccccc1.
What is the InChIKey of benzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole?
The InChIKey is OEUDAJHGJWKFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C6H6/c1-3-4-7-5-6(2)8-9-7;1-2-4-6-5-3-1/h7H,3-5H2,1-2H3;1-6H.
What are the key properties of benzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole?
benzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole has a molecular weight of 205.30 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;3-methyl-5-propyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 143617844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).