4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole

C8H15NO — CID 89205043

IUPAC4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1=NOC(C)C1C
InChIInChI=1S/C8H15NO/c1-4-5-8-6(2)7(3)10-9-8/h6-7H,4-5H2,1-3H3
InChIKeyHVWRRPYLLXCRNM-UHFFFAOYSA-N
MW141.21 g/mol
LogP2.20
Rot. Bonds2

About 4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole

4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole (PubChem CID 89205043) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole
PubChem CID89205043
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole
SMILESCCCC1=NOC(C)C1C
InChIInChI=1S/C8H15NO/c1-4-5-8-6(2)7(3)10-9-8/h6-7H,4-5H2,1-3H3
InChIKeyHVWRRPYLLXCRNM-UHFFFAOYSA-N
XLogP2.20
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole
CID 23529034
3-propan-2-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
CID 13791831
4-Butyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 12529602
(4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
CID 12794212
3-Butyl-5-(2-methylpropyl)-4,5-dihydro-1,2-oxazole
CID 135039737
3-Methyl-3a,5,6,6a-tetrahydro-4H-cyclopenta[d]isoxazole
CID 11007900
3-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole
CID 12252116
3,4,5-Trimethyl-4,5-dihydro-1,2-oxazole
CID 12794213
(4R,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
CID 12794215
3,5-Ditert-butyl-4-methyl-4,5-dihydro-1,2-oxazole
CID 13083639
3-Methyl-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 13140193
3-methyl-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,2]oxazole
CID 20632741

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole (CID 89205043) is 4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole is CCCC1=NOC(C)C1C.
What is the InChIKey of 4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole?
The InChIKey is HVWRRPYLLXCRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-5-8-6(2)7(3)10-9-8/h6-7H,4-5H2,1-3H3.
What are the key properties of 4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole?
4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole has a molecular weight of 141.21 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-3-propyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 89205043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).