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

C7H13NO — CID 59444351

IUPAC(5S)-3-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@H](C(C)C)C1
InChIInChI=1S/C7H13NO/c1-5(2)7-4-6(3)8-9-7/h5,7H,4H2,1-3H3/t7-/m0/s1
InChIKeyUORIZCDFQXLZOH-ZETCQYMHSA-N
MW127.19 g/mol
LogP1.81
Rot. Bonds1

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

(5S)-3-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole (PubChem CID 59444351) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (5S)-3-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5S)-3-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole
PubChem CID59444351
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(5S)-3-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@H](C(C)C)C1
InChIInChI=1S/C7H13NO/c1-5(2)7-4-6(3)8-9-7/h5,7H,4H2,1-3H3/t7-/m0/s1
InChIKeyUORIZCDFQXLZOH-ZETCQYMHSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-Tert-butyl-5-methyl-4,5-dihydro-1,2-oxazole
CID 23529034
3-Isopropyl-4,5-dihydroisoxazole-5-carbonitrile
CID 85731745
3,5-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12228202
5-Propan-2-yl-3-(trifluoromethyl)-4,5-dihydro-1,2-oxazole
CID 138691689
(4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
CID 12794212
3,4,5-Trimethyl-4,5-dihydro-1,2-oxazole
CID 12794213
(4R,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
CID 12794215
3,4-Dimethyl-4,5-dihydro-1,2-oxazole
CID 12959091
5-Tert-butyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 13165514
3-Ethyl-5-methyl-4,5-dihydro-1,2-oxazole
CID 14401180
5-Ethyl-3-methyl-4,5-dihydro-1,2-oxazole
CID 14746748
3-Propan-2-yl-4,5-dihydro-1,2-oxazole
CID 19017381

Frequently Asked Questions

What is the IUPAC name of (5S)-3-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5S)-3-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole (CID 59444351) is (5S)-3-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5S)-3-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5S)-3-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole is CC1=NO[C@H](C(C)C)C1.
What is the InChIKey of (5S)-3-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole?
The InChIKey is UORIZCDFQXLZOH-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)7-4-6(3)8-9-7/h5,7H,4H2,1-3H3/t7-/m0/s1.
What are the key properties of (5S)-3-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole?
(5S)-3-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole has a molecular weight of 127.19 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-methyl-5-propan-2-yl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 59444351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).