(4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole

C6H11NO — CID 12794212

IUPAC(4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@H](C)[C@H]1C
InChIInChI=1S/C6H11NO/c1-4-5(2)7-8-6(4)3/h4,6H,1-3H3/t4-,6+/m0/s1
InChIKeyCETCMFCNCZKVTM-UJURSFKZSA-N
MW113.16 g/mol
LogP1.42
Rot. Bonds

About (4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole

(4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole (PubChem CID 12794212) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
PubChem CID12794212
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole
SMILESCC1=NO[C@H](C)[C@H]1C
InChIInChI=1S/C6H11NO/c1-4-5(2)7-8-6(4)3/h4,6H,1-3H3/t4-,6+/m0/s1
InChIKeyCETCMFCNCZKVTM-UJURSFKZSA-N
XLogP1.42
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole (CID 12794212) is (4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole is CC1=NO[C@H](C)[C@H]1C.
What is the InChIKey of (4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is CETCMFCNCZKVTM-UJURSFKZSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-5(2)7-8-6(4)3/h4,6H,1-3H3/t4-,6+/m0/s1.
What are the key properties of (4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole?
(4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 113.16 g/mol, XLogP of 1.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3,4,5-trimethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 12794212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).