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

C15H25N3O2S — CID 106925423

IUPAC2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC1CCSc1nc(C)c(C)o1
InChIInChI=1S/C15H25N3O2S/c1-4-17-15(13(16)19)8-5-6-12(15)7-9-21-14-18-10(2)11(3)20-14/h12,17H,4-9H2,1-3H3,(H2,16,19)
InChIKeyMQDAHOPGUZSBHY-UHFFFAOYSA-N
MW311.45 g/mol
LogP2.41
Rot. Bonds7

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

2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide (PubChem CID 106925423) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
PubChem CID106925423
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCCC1CCSc1nc(C)c(C)o1
InChIInChI=1S/C15H25N3O2S/c1-4-17-15(13(16)19)8-5-6-12(15)7-9-21-14-18-10(2)11(3)20-14/h12,17H,4-9H2,1-3H3,(H2,16,19)
InChIKeyMQDAHOPGUZSBHY-UHFFFAOYSA-N
XLogP2.41
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 52.41
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-(methylamino)cyclopentane-1-carboxamide
CID 106925424
1-(ethylamino)-2-[2-(4-methylpyrimidin-2-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 79588075
1-(ethylamino)-2-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethyl]cyclopentane-1-carboxylic acid
CID 79588545
1-(ethylamino)-2-(2-propan-2-ylsulfanylethyl)cyclopentane-1-carboxamide
CID 79587817
1-(ethylamino)-2-[2-(2-methyloxolan-3-yl)sulfanylethyl]cyclopentane-1-carboxamide
CID 107755374
2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-N-ethylcyclopentan-1-amine
CID 106927973
2-(2-butoxyethyl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79586499
2-[2-(dipropylamino)ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79576868
1-(ethylamino)-2-[2-(4-methylpyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 79571060
2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide
CID 79564236
2-(2-ethylsulfanylethyl)-1-(propylamino)cyclopentane-1-carboxamide
CID 79588009
2-[2-(1H-imidazol-2-ylsulfanyl)ethyl]-1-(propylamino)cyclopentane-1-carboxamide
CID 107781978

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide?
The IUPAC name of 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide (CID 106925423) is 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide is CCNC1(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-(ethylamino)cyclopentane-1-carboxamide?
The InChIKey is MQDAHOPGUZSBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-4-17-15(13(16)19)8-5-6-12(15)7-9-21-14-18-10(2)11(3)20-14/h12,17H,4-9H2,1-3H3,(H2,16,19).
What are the key properties of 2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide?
2-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]ethyl]-1-(ethylamino)cyclopentane-1-carboxamide has a molecular weight of 311.45 g/mol, XLogP of 2.41, 7 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-(ethylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 106925423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).