[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone

C19H24ClN3O2S — CID 53146772

IUPAC[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
SMILESCSc1ccc(Cl)c(C(=O)N2CCC(c3noc(N)c3C(C)C)CC2)c1
InChIInChI=1S/C19H24ClN3O2S/c1-11(2)16-17(22-25-18(16)21)12-6-8-23(9-7-12)19(24)14-10-13(26-3)4-5-15(14)20/h4-5,10-12H,6-9,21H2,1-3H3
InChIKeyVWCBFSVYJOARLY-UHFFFAOYSA-N
MW393.94 g/mol
LogP4.78
Rot. Bonds4

About [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone

[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone (PubChem CID 53146772) has the molecular formula C19H24ClN3O2S and a molecular weight of 393.94 g/mol. Its IUPAC name is [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone.

Molecular Properties

Compound Name[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
PubChem CID53146772
Molecular FormulaC19H24ClN3O2S
Molecular Weight393.94 g/mol
Exact Mass393.13
IUPAC Name[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
SMILESCSc1ccc(Cl)c(C(=O)N2CCC(c3noc(N)c3C(C)C)CC2)c1
InChIInChI=1S/C19H24ClN3O2S/c1-11(2)16-17(22-25-18(16)21)12-6-8-23(9-7-12)19(24)14-10-13(26-3)4-5-15(14)20/h4-5,10-12H,6-9,21H2,1-3H3
InChIKeyVWCBFSVYJOARLY-UHFFFAOYSA-N
XLogP4.78
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.94
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(3,4-difluorophenyl)methanone
CID 53146783
(2-chloro-5-methylsulfanylphenyl)-[4-(methylamino)piperidin-1-yl]methanone
CID 119562535
[4-(bromomethyl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 80677819
[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(oxolan-2-yl)methanone
CID 53146798
[3-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone;hydrochloride
CID 119485849
(2-chloro-5-methylsulfanylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916589
[3-(aminomethyl)pyrrolidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 62069294
(2-chloro-5-methylsulfanylphenyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 112765531
(2-chloro-5-methylsulfanylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 78776798
(2-chloro-5-methylsulfanylphenyl)-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119417080
[4-(2-bromoethoxy)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone
CID 82687777
(2-chloro-5-methylsulfanylphenyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 47004692

Frequently Asked Questions

What is the IUPAC name of [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone?
The IUPAC name of [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone (CID 53146772) is [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone.
What is the SMILES notation for [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone?
The canonical SMILES for [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone is CSc1ccc(Cl)c(C(=O)N2CCC(c3noc(N)c3C(C)C)CC2)c1.
What is the InChIKey of [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone?
The InChIKey is VWCBFSVYJOARLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O2S/c1-11(2)16-17(22-25-18(16)21)12-6-8-23(9-7-12)19(24)14-10-13(26-3)4-5-15(14)20/h4-5,10-12H,6-9,21H2,1-3H3.
What are the key properties of [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone?
[4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone has a molecular weight of 393.94 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-amino-4-propan-2-yl-1,2-oxazol-3-yl)piperidin-1-yl]-(2-chloro-5-methylsulfanylphenyl)methanone is sourced from PubChem (CID 53146772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).