2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine

C12H20N2OS — CID 106927686

IUPAC2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Sc1nc(C)co1
InChIInChI=1S/C12H20N2OS/c1-3-7-13-10-5-4-6-11(10)16-12-14-9(2)8-15-12/h8,10-11,13H,3-7H2,1-2H3
InChIKeyMAIZUOJTKNOBLC-UHFFFAOYSA-N
MW240.37 g/mol
LogP3.00
Rot. Bonds5

About 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine

2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine (PubChem CID 106927686) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine
PubChem CID106927686
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1CCCC1Sc1nc(C)co1
InChIInChI=1S/C12H20N2OS/c1-3-7-13-10-5-4-6-11(10)16-12-14-9(2)8-15-12/h8,10-11,13H,3-7H2,1-2H3
InChIKeyMAIZUOJTKNOBLC-UHFFFAOYSA-N
XLogP3.00
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclohexan-1-amine
CID 106927564
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]cyclopentan-1-ol
CID 106923607
N-propyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylcyclohexan-1-amine
CID 65041153
2-phenylsulfanyl-N-propylcyclopentan-1-amine
CID 22486376
2-(2-methylphenyl)sulfanyl-N-propylcyclopentan-1-amine
CID 64649672
N-methyl-2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-4-propylcyclohexan-1-amine
CID 106927660
2-(1-methylpyrazol-4-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64626801
N-propyl-2-(1,3,4-thiadiazol-2-ylsulfanyl)cyclopentan-1-amine
CID 64648022
2-(cyclobutylmethylsulfanyl)-4-methyl-1,3-oxazole
CID 131203577
2-(3,4-dimethylphenyl)sulfanyl-N-propylcyclohexan-1-amine
CID 64647989
2-[(3-chloro-2-pyridinyl)sulfanyl]-N-propylcyclopentan-1-amine
CID 64629057
2-(1-methyltetrazol-5-yl)sulfanyl-N-propylcyclopentan-1-amine
CID 64621770

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine (CID 106927686) is 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine is CCCNC1CCCC1Sc1nc(C)co1.
What is the InChIKey of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine?
The InChIKey is MAIZUOJTKNOBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-3-7-13-10-5-4-6-11(10)16-12-14-9(2)8-15-12/h8,10-11,13H,3-7H2,1-2H3.
What are the key properties of 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine?
2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 106927686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).