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

C8H13NO — CID 525774

IUPAC2,4-dimethyl-5-propyl-1,3-oxazole
SMILESCCCc1oc(C)nc1C
InChIInChI=1S/C8H13NO/c1-4-5-8-6(2)9-7(3)10-8/h4-5H2,1-3H3
InChIKeyPSGAPKDEFJWSNU-UHFFFAOYSA-N
MW139.20 g/mol
LogP2.24
Rot. Bonds2

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

2,4-dimethyl-5-propyl-1,3-oxazole (PubChem CID 525774) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 2,4-dimethyl-5-propyl-1,3-oxazole.

Molecular Properties

Compound Name2,4-dimethyl-5-propyl-1,3-oxazole
PubChem CID525774
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name2,4-dimethyl-5-propyl-1,3-oxazole
SMILESCCCc1oc(C)nc1C
InChIInChI=1S/C8H13NO/c1-4-5-8-6(2)9-7(3)10-8/h4-5H2,1-3H3
InChIKeyPSGAPKDEFJWSNU-UHFFFAOYSA-N
XLogP2.24
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-propyl-1,3-oxazole?
The IUPAC name of 2,4-dimethyl-5-propyl-1,3-oxazole (CID 525774) is 2,4-dimethyl-5-propyl-1,3-oxazole.
What is the SMILES notation for 2,4-dimethyl-5-propyl-1,3-oxazole?
The canonical SMILES for 2,4-dimethyl-5-propyl-1,3-oxazole is CCCc1oc(C)nc1C.
What is the InChIKey of 2,4-dimethyl-5-propyl-1,3-oxazole?
The InChIKey is PSGAPKDEFJWSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-4-5-8-6(2)9-7(3)10-8/h4-5H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-propyl-1,3-oxazole?
2,4-dimethyl-5-propyl-1,3-oxazole has a molecular weight of 139.20 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-propyl-1,3-oxazole is sourced from PubChem (CID 525774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).