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

C7H13NO — CID 6932326

IUPAC(4R)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC1=N[C@H](C(C)C)CO1
InChIInChI=1S/C7H13NO/c1-5(2)7-4-9-6(3)8-7/h5,7H,4H2,1-3H3/t7-/m0/s1
InChIKeyFOPMZVNMDQVZKG-ZETCQYMHSA-N
MW127.19 g/mol
LogP1.46
Rot. Bonds1

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

(4R)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 6932326) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (4R)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID6932326
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(4R)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCC1=N[C@H](C(C)C)CO1
InChIInChI=1S/C7H13NO/c1-5(2)7-4-9-6(3)8-7/h5,7H,4H2,1-3H3/t7-/m0/s1
InChIKeyFOPMZVNMDQVZKG-ZETCQYMHSA-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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Frequently Asked Questions

What is the IUPAC name of (4R)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 6932326) is (4R)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is CC1=N[C@H](C(C)C)CO1.
What is the InChIKey of (4R)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is FOPMZVNMDQVZKG-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)7-4-9-6(3)8-7/h5,7H,4H2,1-3H3/t7-/m0/s1.
What are the key properties of (4R)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
(4R)-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 (4R)-2-methyl-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 6932326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).