2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine

C10H12ClNO — CID 82282088

IUPAC2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine
SMILESCC1CNC(c2cccc(Cl)c2)O1
InChIInChI=1S/C10H12ClNO/c1-7-6-12-10(13-7)8-3-2-4-9(11)5-8/h2-5,7,10,12H,6H2,1H3
InChIKeyNKXMKWMEHBRJQT-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.35
Rot. Bonds1

About 2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine

2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine (PubChem CID 82282088) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine
PubChem CID82282088
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine
SMILESCC1CNC(c2cccc(Cl)c2)O1
InChIInChI=1S/C10H12ClNO/c1-7-6-12-10(13-7)8-3-2-4-9(11)5-8/h2-5,7,10,12H,6H2,1H3
InChIKeyNKXMKWMEHBRJQT-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methoxyphenyl)-5-methyl-1,3-oxazolidine
CID 82281613
(2S,6S)-2-(3-chlorophenyl)-6-methylmorpholine
CID 39243005
(2R,6R)-2-(3-chlorophenyl)-6-methylmorpholine
CID 39242999
(2R,3S)-2-(3-chlorophenyl)-3-methyloxirane
CID 30122314
2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazolidine
CID 82287095
2-(5-chlorofuran-2-yl)-5-methyl-1,3-oxazolidine
CID 117228950
7-chloro-2-(3-chlorophenyl)-3,4-dihydro-2H-1,4-benzoxazine
CID 81429876
(2S,3aS,7aR)-2-(3-chlorophenyl)-2,3,3a,4,5,6,7,7a-octahydro-1,3-benzoxazole
CID 10082891
3-(3-chlorophenyl)azetidine;hydrochloride
CID 72698856
2-(3-chlorophenyl)-4-methyl-6-oxabicyclo[3.1.0]hexane
CID 90346557
(2S,4aR,8aR)-2-(3-chlorophenyl)-2,3,4,5,6,7,8,8a-octahydrobenzo[e][1,3]oxazin-4a-ol
CID 11065421
6-chloro-2-(3-chlorophenyl)-7-fluoro-3-methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 82720778

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine?
The IUPAC name of 2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine (CID 82282088) is 2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine.
What is the SMILES notation for 2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine?
The canonical SMILES for 2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine is CC1CNC(c2cccc(Cl)c2)O1.
What is the InChIKey of 2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine?
The InChIKey is NKXMKWMEHBRJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7-6-12-10(13-7)8-3-2-4-9(11)5-8/h2-5,7,10,12H,6H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine?
2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine has a molecular weight of 197.66 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-methyl-1,3-oxazolidine is sourced from PubChem (CID 82282088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).