2,5-di(propan-2-yl)-1,3-oxazole;ethane

C11H21NO — CID 142582131

IUPAC2,5-di(propan-2-yl)-1,3-oxazole;ethane
SMILESCC.CC(C)c1cnc(C(C)C)o1
InChIInChI=1S/C9H15NO.C2H6/c1-6(2)8-5-10-9(11-8)7(3)4;1-2/h5-7H,1-4H3;1-2H3
InChIKeyCMPCBXNMOZZXNV-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.95
Rot. Bonds2

About 2,5-di(propan-2-yl)-1,3-oxazole;ethane

2,5-di(propan-2-yl)-1,3-oxazole;ethane (PubChem CID 142582131) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-1,3-oxazole;ethane.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-1,3-oxazole;ethane
PubChem CID142582131
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2,5-di(propan-2-yl)-1,3-oxazole;ethane
SMILESCC.CC(C)c1cnc(C(C)C)o1
InChIInChI=1S/C9H15NO.C2H6/c1-6(2)8-5-10-9(11-8)7(3)4;1-2/h5-7H,1-4H3;1-2H3
InChIKeyCMPCBXNMOZZXNV-UHFFFAOYSA-N
XLogP3.95
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-di(propan-2-yl)-1,3-oxazole
CID 21065018
2-iodo-5-propan-2-yl-1,3-oxazole
CID 102974765
5-tert-butyl-2-propan-2-yl-1,3-oxazole
CID 23571128
2-(2-methylpropyl)-5-propan-2-yl-1,3-oxazole
CID 58499249
ethane;2-propan-2-yl-1,3-oxazole
CID 143094389
2-propan-2-yl-5-[5-(4-propan-2-yl-2-pyridinyl)hexan-2-yl]-1,3-oxazole
CID 138548707
2-(2-chloroethyl)-5-propan-2-yl-1,3-oxazole
CID 65180225
5-propan-2-yl-1,3-oxazole-2-carboxamide
CID 66641604
1-[5-(3,3-dimethylbutan-2-yl)-1,3-oxazol-2-yl]ethanamine
CID 131036465
5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole
CID 156522893
5-tert-butyl-2-[(1R)-1-chloroethyl]-1,3-oxazole
CID 93105065
5-(3-bromophenyl)-2-propan-2-yl-1,3-oxazole
CID 71734450

Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-1,3-oxazole;ethane?
The IUPAC name of 2,5-di(propan-2-yl)-1,3-oxazole;ethane (CID 142582131) is 2,5-di(propan-2-yl)-1,3-oxazole;ethane.
What is the SMILES notation for 2,5-di(propan-2-yl)-1,3-oxazole;ethane?
The canonical SMILES for 2,5-di(propan-2-yl)-1,3-oxazole;ethane is CC.CC(C)c1cnc(C(C)C)o1.
What is the InChIKey of 2,5-di(propan-2-yl)-1,3-oxazole;ethane?
The InChIKey is CMPCBXNMOZZXNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-6(2)8-5-10-9(11-8)7(3)4;1-2/h5-7H,1-4H3;1-2H3.
What are the key properties of 2,5-di(propan-2-yl)-1,3-oxazole;ethane?
2,5-di(propan-2-yl)-1,3-oxazole;ethane has a molecular weight of 183.29 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-1,3-oxazole;ethane is sourced from PubChem (CID 142582131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).