3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide

C15H19N3O2S — CID 79645704

IUPAC3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(Sc2nc3ccccc3o2)C1
InChIInChI=1S/C15H19N3O2S/c1-2-17-15(13(16)19)8-7-10(9-15)21-14-18-11-5-3-4-6-12(11)20-14/h3-6,10,17H,2,7-9H2,1H3,(H2,16,19)
InChIKeyARWSKPXZFKUNCV-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.31
Rot. Bonds5

About 3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide

3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide (PubChem CID 79645704) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide
PubChem CID79645704
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide
SMILESCCNC1(C(N)=O)CCC(Sc2nc3ccccc3o2)C1
InChIInChI=1S/C15H19N3O2S/c1-2-17-15(13(16)19)8-7-10(9-15)21-14-18-11-5-3-4-6-12(11)20-14/h3-6,10,17H,2,7-9H2,1H3,(H2,16,19)
InChIKeyARWSKPXZFKUNCV-UHFFFAOYSA-N
XLogP2.31
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide
CID 106925476
1-(ethylamino)-3-(2-methoxyphenoxy)cyclopentane-1-carboxamide
CID 79649310
3-cyclohexylsulfanyl-1-(ethylamino)cyclopentane-1-carboxamide
CID 79653549
2-(1,3-benzoxazol-2-ylsulfanyl)-4,4-dimethylcyclohexan-1-amine
CID 64648781
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpropanamide
CID 9414816
(3S)-3-(1,3-benzoxazol-2-ylsulfanyl)thiolane 1,1-dioxide
CID 40557013
3-(1,3-benzoxazol-2-ylsulfanyl)-2-cyclopropyl-2-(methylamino)propanamide
CID 63915747
ethyl 1-(ethylamino)-3-pyrimidin-2-ylsulfanylcyclopentane-1-carboxylate
CID 79654016
2-(1,3-benzoxazol-2-ylsulfanyl)-N,4,4-trimethylcyclohexan-1-amine
CID 64647811
2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethyl-4-methylcyclohexan-1-amine
CID 64650161
methyl 3-(2-chlorophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxylate
CID 79654313
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)propanoic acid
CID 1132680

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide (CID 79645704) is 3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide is CCNC1(C(N)=O)CCC(Sc2nc3ccccc3o2)C1.
What is the InChIKey of 3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide?
The InChIKey is ARWSKPXZFKUNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-17-15(13(16)19)8-7-10(9-15)21-14-18-11-5-3-4-6-12(11)20-14/h3-6,10,17H,2,7-9H2,1H3,(H2,16,19).
What are the key properties of 3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide?
3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79645704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).