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

C14H21N3O2S — CID 106925476

IUPAC1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide
SMILESCc1nc(SC2CCC(NC3CC3)(C(N)=O)C2)oc1C
InChIInChI=1S/C14H21N3O2S/c1-8-9(2)19-13(16-8)20-11-5-6-14(7-11,12(15)18)17-10-3-4-10/h10-11,17H,3-7H2,1-2H3,(H2,15,18)
InChIKeyVWLFBXCQAASDGS-UHFFFAOYSA-N
MW295.41 g/mol
LogP1.91
Rot. Bonds5

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

1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide (PubChem CID 106925476) has the molecular formula C14H21N3O2S and a molecular weight of 295.41 g/mol. Its IUPAC name is 1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide
PubChem CID106925476
Molecular FormulaC14H21N3O2S
Molecular Weight295.41 g/mol
Exact Mass295.14
IUPAC Name1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide
SMILESCc1nc(SC2CCC(NC3CC3)(C(N)=O)C2)oc1C
InChIInChI=1S/C14H21N3O2S/c1-8-9(2)19-13(16-8)20-11-5-6-14(7-11,12(15)18)17-10-3-4-10/h10-11,17H,3-7H2,1-2H3,(H2,15,18)
InChIKeyVWLFBXCQAASDGS-UHFFFAOYSA-N
XLogP1.91
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79653797
1-(cyclopropylamino)-3-methylcyclopentane-1-carboxamide
CID 64513100
3-(1,3-benzoxazol-2-ylsulfanyl)-1-(ethylamino)cyclopentane-1-carboxamide
CID 79645704
3-butylsulfanyl-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79653743
1-(cyclopropylamino)-3-pentylsulfanylcyclopentane-1-carboxamide
CID 107755473
1-(cyclopropylamino)-3-(1,3-thiazol-2-ylsulfanyl)cyclohexane-1-carboxamide
CID 79635302
3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]-N-ethylcyclopentan-1-amine
CID 106928073
1-(methylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxamide
CID 79654481
1-(cyclopropylamino)-3-(3,5-dimethylphenoxy)cyclopentane-1-carboxamide
CID 79647749
1-(cyclopropylamino)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclohexane-1-carboxylic acid
CID 79635859
methyl 1-(cyclopropylamino)-3-(1-methyltetrazol-5-yl)sulfanylcyclopentane-1-carboxylate
CID 79653447
1-(cyclopropylamino)-3-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]cyclopentane-1-carboxylic acid
CID 115383599

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide (CID 106925476) is 1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide is Cc1nc(SC2CCC(NC3CC3)(C(N)=O)C2)oc1C.
What is the InChIKey of 1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide?
The InChIKey is VWLFBXCQAASDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S/c1-8-9(2)19-13(16-8)20-11-5-6-14(7-11,12(15)18)17-10-3-4-10/h10-11,17H,3-7H2,1-2H3,(H2,15,18).
What are the key properties of 1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide?
1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide has a molecular weight of 295.41 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-3-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 106925476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).