4-methyl-2-propyl-1,3-oxazole

C7H11NO — CID 528409

IUPAC4-methyl-2-propyl-1,3-oxazole
SMILESCCCc1nc(C)co1
InChIInChI=1S/C7H11NO/c1-3-4-7-8-6(2)5-9-7/h5H,3-4H2,1-2H3
InChIKeyBUOGNIOVIYHMFO-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.94
Rot. Bonds2

About 4-methyl-2-propyl-1,3-oxazole

4-methyl-2-propyl-1,3-oxazole (PubChem CID 528409) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 4-methyl-2-propyl-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-propyl-1,3-oxazole
PubChem CID528409
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name4-methyl-2-propyl-1,3-oxazole
SMILESCCCc1nc(C)co1
InChIInChI=1S/C7H11NO/c1-3-4-7-8-6(2)5-9-7/h5H,3-4H2,1-2H3
InChIKeyBUOGNIOVIYHMFO-UHFFFAOYSA-N
XLogP1.94
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-Dimethyloxazole
CID 138961
4-Butyl-2-methyloxazole
CID 525783
2-Methyl-4-propyloxazole
CID 528406
2-Methyl-1,3-oxazole-4-carbaldehyde
CID 11073372
4-Methyl-2-pentyloxazole
CID 525789
4-Ethyl-2-methyloxazole
CID 525785
2-Ethyl-4-methyloxazole
CID 528405
1-(4-Methyl-1,3-oxazol-2-yl)ethan-1-one
CID 13159077
4-Methyl-1,3-oxazole-2-carbaldehyde
CID 14920524
4-Methyl-2-trifluoroacetyloxazole
CID 18936312
2-Methyl-1,3-oxazole-4-carbonitrile
CID 5324808
4-(Chloromethyl)-2-(propan-2-yl)-1,3-oxazole
CID 2763291

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propyl-1,3-oxazole?
The IUPAC name of 4-methyl-2-propyl-1,3-oxazole (CID 528409) is 4-methyl-2-propyl-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-propyl-1,3-oxazole?
The canonical SMILES for 4-methyl-2-propyl-1,3-oxazole is CCCc1nc(C)co1.
What is the InChIKey of 4-methyl-2-propyl-1,3-oxazole?
The InChIKey is BUOGNIOVIYHMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-3-4-7-8-6(2)5-9-7/h5H,3-4H2,1-2H3.
What are the key properties of 4-methyl-2-propyl-1,3-oxazole?
4-methyl-2-propyl-1,3-oxazole has a molecular weight of 125.17 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propyl-1,3-oxazole is sourced from PubChem (CID 528409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).