2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide

C14H23N3O2S — CID 106925424

IUPAC2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCSc1nc(C)c(C)o1
InChIInChI=1S/C14H23N3O2S/c1-9-10(2)19-13(17-9)20-8-6-11-5-4-7-14(11,16-3)12(15)18/h11,16H,4-8H2,1-3H3,(H2,15,18)
InChIKeyTVLSMARPUXFZIC-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.02
Rot. Bonds6

About 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide

2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 106925424) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID106925424
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCCC1CCSc1nc(C)c(C)o1
InChIInChI=1S/C14H23N3O2S/c1-9-10(2)19-13(17-9)20-8-6-11-5-4-7-14(11,16-3)12(15)18/h11,16H,4-8H2,1-3H3,(H2,15,18)
InChIKeyTVLSMARPUXFZIC-UHFFFAOYSA-N
XLogP2.02
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 106925423
1-(methylamino)-2-[2-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide
CID 79582213
1-(methylamino)-2-[2-[(6-oxo-1H-pyrimidin-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxamide
CID 79587868
2-[2-(3-hydroxypropylsulfanyl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79582927
1-(ethylamino)-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxylic acid
CID 79588545
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanamide
CID 103761124
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]propanehydrazide
CID 106926292
2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79568028
1-(ethylamino)-2-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 79588075
2-[2-(2-cyclopropylethoxy)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 106204227
2-[2-(azocan-1-yl)ethyl]-1-(methylamino)cyclopentane-1-carboxamide
CID 79577274
2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-N-ethylcyclopentan-1-amine
CID 106927973

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide (CID 106925424) is 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCCC1CCSc1nc(C)c(C)o1.
What is the InChIKey of 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is TVLSMARPUXFZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-9-10(2)19-13(17-9)20-8-6-11-5-4-7-14(11,16-3)12(15)18/h11,16H,4-8H2,1-3H3,(H2,15,18).
What are the key properties of 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide?
2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 106925424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).