5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole

C10H19NO — CID 20718859

IUPAC5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole
SMILESCC(C)C1=NOC(C)(C(C)C)C1
InChIInChI=1S/C10H19NO/c1-7(2)9-6-10(5,8(3)4)12-11-9/h7-8H,6H2,1-5H3
InChIKeyBFMNONRSXZUHLQ-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.83
Rot. Bonds2

About 5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole

5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole (PubChem CID 20718859) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole
PubChem CID20718859
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole
SMILESCC(C)C1=NOC(C)(C(C)C)C1
InChIInChI=1S/C10H19NO/c1-7(2)9-6-10(5,8(3)4)12-11-9/h7-8H,6H2,1-5H3
InChIKeyBFMNONRSXZUHLQ-UHFFFAOYSA-N
XLogP2.83
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,4,6,6-Tetramethyl-4,5-dihydrooxazine
CID 134972591
3,4,4-Trimethyl-1-oxa-2-azaspiro[4.4]non-2-ene
CID 13694196
3,4,5,5-tetramethyl-4H-1,2-oxazole
CID 14916920
5,5-dimethyl-3,4-di(propan-2-yl)-4H-1,2-oxazole
CID 20577412
4,5,5-trimethyl-3-propan-2-yl-4H-1,2-oxazole
CID 21336432
5,5-dimethyl-3-propan-2-yl-4H-1,2-oxazole
CID 21336433
3,5-dimethyl-5-propan-2-yl-4H-1,2-oxazole
CID 21719069
4,4,5,5-Tetramethyl-3-(2-methylpropyl)-1,2-oxazole;tungsten
CID 58361828
3-methyl-5,5-di(propan-2-yl)-4H-1,2-oxazole
CID 58536801
3,5-ditert-butyl-5-propan-2-yl-4H-1,2-oxazole
CID 58735354
3,5-ditert-butyl-5-methyl-4H-1,2-oxazole
CID 58735361
5-tert-butyl-5-methyl-3-propyl-4H-1,2-oxazole
CID 58989909

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole?
The IUPAC name of 5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole (CID 20718859) is 5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole.
What is the SMILES notation for 5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole?
The canonical SMILES for 5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole is CC(C)C1=NOC(C)(C(C)C)C1.
What is the InChIKey of 5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole?
The InChIKey is BFMNONRSXZUHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)9-6-10(5,8(3)4)12-11-9/h7-8H,6H2,1-5H3.
What are the key properties of 5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole?
5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole has a molecular weight of 169.27 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,5-di(propan-2-yl)-4H-1,2-oxazole is sourced from PubChem (CID 20718859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).