3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine

C12H20N2OS — CID 106928073

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2nc(C)c(C)o2)C1
InChIInChI=1S/C12H20N2OS/c1-4-13-10-5-6-11(7-10)16-12-14-8(2)9(3)15-12/h10-11,13H,4-7H2,1-3H3
InChIKeyWHPGUMSOLICCBL-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.91
Rot. Bonds4

About 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine

3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine (PubChem CID 106928073) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine
PubChem CID106928073
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine
SMILESCCNC1CCC(Sc2nc(C)c(C)o2)C1
InChIInChI=1S/C12H20N2OS/c1-4-13-10-5-6-11(7-10)16-12-14-8(2)9(3)15-12/h10-11,13H,4-7H2,1-3H3
InChIKeyWHPGUMSOLICCBL-UHFFFAOYSA-N
XLogP2.91
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentan-1-amine
CID 64724101
6-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 106927972
1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide
CID 106925476
2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-4-ethyl-N-propylcyclohexan-1-amine
CID 106928037
N-ethyl-3-(1-methylpyrazol-4-yl)sulfanylcyclopentan-1-amine
CID 64723897
2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-N-ethylcyclopentan-1-amine
CID 106927973
N-ethyl-3-(oxetan-3-ylsulfanyl)cyclopentan-1-amine
CID 79333226
3-(2,4-dimethylphenyl)sulfanyl-N-ethylcyclohexan-1-amine
CID 64716737
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-ethylpiperidin-4-amine
CID 114180493
3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-propylcyclohexan-1-amine
CID 64722209
2-(cyclopropylmethylsulfanyl)-4,5-dimethyl-1,3-oxazole
CID 131207208
4-ethyl-3-[3-(ethylamino)cyclopentyl]sulfanyl-1H-1,2,4-triazol-5-one
CID 64722473

Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine (CID 106928073) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine is CCNC1CCC(Sc2nc(C)c(C)o2)C1.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine?
The InChIKey is WHPGUMSOLICCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-4-13-10-5-6-11(7-10)16-12-14-8(2)9(3)15-12/h10-11,13H,4-7H2,1-3H3.
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine is sourced from PubChem (CID 106928073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).