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

C7H13NO — CID 2777860

IUPAC2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(C(C)C)CO1
InChIInChI=1S/C7H13NO/c1-5(2)7-4-9-6(3)8-7/h5,7H,4H2,1-3H3
InChIKeyFOPMZVNMDQVZKG-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.46
Rot. Bonds1

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

2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 2777860) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID2777860
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC1=NC(C(C)C)CO1
InChIInChI=1S/C7H13NO/c1-5(2)7-4-9-6(3)8-7/h5,7H,4H2,1-3H3
InChIKeyFOPMZVNMDQVZKG-UHFFFAOYSA-N
XLogP1.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Isopropyl-2-oxazoline
CID 566545
2,4-Dimethyl-4,5-dihydro-1,3-oxazole
CID 535717
(R,S)-2,4-Dimethyl-4,5-dihydro-oxazole
CID 13276076
4-(S)-isopropyl-2-methyloxazoline
CID 6932325
(4S)-2-(chloromethyl)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 11240657
(4S)-4-tert-butyl-2-methyl-4,5-dihydro-1,3-oxazole
CID 10898811
(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 11116021
(4S)-2,4-di(propan-2-yl)-4,5-dihydro-1,3-oxazole
CID 11228922
4-Propan-2-yl-4,5-dihydro-1,3-oxazole
CID 14816327
2-Isobutyl-4,5-dihydrooxazole
CID 18547391
(4R)-4-tert-butyl-2-methyl-2-oxazoline
CID 55250279
2-(1-Fluoro-2-methylpropyl)-4,5-dihydro-1,3-oxazole
CID 166858112

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 2777860) is 2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC1=NC(C(C)C)CO1.
What is the InChIKey of 2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is FOPMZVNMDQVZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)7-4-9-6(3)8-7/h5,7H,4H2,1-3H3.
What are the key properties of 2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 127.19 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 2777860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).