(5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole

C7H12ClNO — CID 95242258

IUPAC(5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1=NO[C@@H]([C@H](C)Cl)C1
InChIInChI=1S/C7H12ClNO/c1-3-6-4-7(5(2)8)10-9-6/h5,7H,3-4H2,1-2H3/t5-,7+/m0/s1
InChIKeyAVNMMECIALSKPZ-CAHLUQPWSA-N
MW161.63 g/mol
LogP2.17
Rot. Bonds2

About (5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole

(5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole (PubChem CID 95242258) has the molecular formula C7H12ClNO and a molecular weight of 161.63 g/mol. Its IUPAC name is (5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name(5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole
PubChem CID95242258
Molecular FormulaC7H12ClNO
Molecular Weight161.63 g/mol
Exact Mass161.06
IUPAC Name(5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole
SMILESCCC1=NO[C@@H]([C@H](C)Cl)C1
InChIInChI=1S/C7H12ClNO/c1-3-6-4-7(5(2)8)10-9-6/h5,7H,3-4H2,1-2H3/t5-,7+/m0/s1
InChIKeyAVNMMECIALSKPZ-CAHLUQPWSA-N
XLogP2.17
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.63
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole?
The IUPAC name of (5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole (CID 95242258) is (5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole.
What is the SMILES notation for (5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole?
The canonical SMILES for (5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole is CCC1=NO[C@@H]([C@H](C)Cl)C1.
What is the InChIKey of (5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole?
The InChIKey is AVNMMECIALSKPZ-CAHLUQPWSA-N. The full InChI is InChI=1S/C7H12ClNO/c1-3-6-4-7(5(2)8)10-9-6/h5,7H,3-4H2,1-2H3/t5-,7+/m0/s1.
What are the key properties of (5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole?
(5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole has a molecular weight of 161.63 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1-chloroethyl]-3-ethyl-4,5-dihydro-1,2-oxazole is sourced from PubChem (CID 95242258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).