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

C7H13NO — CID 89187993

IUPAC3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOCC1C(C)C
InChIInChI=1S/C7H13NO/c1-5(2)7-4-9-8-6(7)3/h5,7H,4H2,1-3H3
InChIKeyCUNMVLKOFMBUEM-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.66
Rot. Bonds1

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

3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 89187993) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID89187993
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC1=NOCC1C(C)C
InChIInChI=1S/C7H13NO/c1-5(2)7-4-9-8-6(7)3/h5,7H,4H2,1-3H3
InChIKeyCUNMVLKOFMBUEM-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of 3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole (CID 89187993) is 3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole is CC1=NOCC1C(C)C.
What is the InChIKey of 3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is CUNMVLKOFMBUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)7-4-9-8-6(7)3/h5,7H,4H2,1-3H3.
What are the key properties of 3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole?
3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 127.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 89187993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).