4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole

C7H13NO — CID 142573225

IUPAC4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole
SMILESCC1=C(C(C)C)OCN1
InChIInChI=1S/C7H13NO/c1-5(2)7-6(3)8-4-9-7/h5,8H,4H2,1-3H3
InChIKeySEWKELXFYXETPJ-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.45
Rot. Bonds1

About 4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole

4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole (PubChem CID 142573225) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole
PubChem CID142573225
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole
SMILESCC1=C(C(C)C)OCN1
InChIInChI=1S/C7H13NO/c1-5(2)7-6(3)8-4-9-7/h5,8H,4H2,1-3H3
InChIKeySEWKELXFYXETPJ-UHFFFAOYSA-N
XLogP1.45
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Di(propan-2-yl)-2,3-dihydro-1,3-oxazole
CID 57632385
5-Tert-butyl-4-propan-2-yl-2,3-dihydro-1,3-oxazole
CID 68010833
5-Ethyl-4-methyl-2,3-dihydro-1,3-oxazole
CID 68018582
5-Methyl-4-propan-2-yl-2,3-dihydro-1,3-oxazole
CID 68199268
4,5-Dimethyl-2,3-dihydro-1,3-oxazole
CID 68250926
4,5-Dimethyl-2,3-dihydro-1,3-oxazole;ethane
CID 90876333
4-methoxy-N,2-dimethylhex-3-en-3-amine
CID 140101348
4-methoxy-N,5-dimethylhex-3-en-3-amine
CID 140101371
4,5-Dimethyl-2,3-dihydro-1,3-oxazole;molecular hydrogen
CID 144939794
5-Ethyl-4-propan-2-yl-2,3-dihydro-1,3-oxazole
CID 145510184
4,5-Ditert-butyl-2,3-dihydro-1,3-oxazole
CID 155649452
Ethane;4-ethyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole
CID 155701998

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole (CID 142573225) is 4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole is CC1=C(C(C)C)OCN1.
What is the InChIKey of 4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole?
The InChIKey is SEWKELXFYXETPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)7-6(3)8-4-9-7/h5,8H,4H2,1-3H3.
What are the key properties of 4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole?
4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole has a molecular weight of 127.19 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-propan-2-yl-2,3-dihydro-1,3-oxazole is sourced from PubChem (CID 142573225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).