[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium

C14H18N3O2S+ — CID 8910172

IUPAC[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium
SMILESC[NH+](CC(=O)NC1CC1)Cc1cc(-c2cccs2)on1
InChIInChI=1S/C14H17N3O2S/c1-17(9-14(18)15-10-4-5-10)8-11-7-12(19-16-11)13-3-2-6-20-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,18)/p+1
InChIKeyYLPZSOMDUBBFPS-UHFFFAOYSA-O
MW292.38 g/mol
LogP0.70
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium

[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium (PubChem CID 8910172) has the molecular formula C14H18N3O2S+ and a molecular weight of 292.38 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium
PubChem CID8910172
Molecular FormulaC14H18N3O2S+
Molecular Weight292.38 g/mol
Exact Mass292.11
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium
SMILESC[NH+](CC(=O)NC1CC1)Cc1cc(-c2cccs2)on1
InChIInChI=1S/C14H17N3O2S/c1-17(9-14(18)15-10-4-5-10)8-11-7-12(19-16-11)13-3-2-6-20-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,18)/p+1
InChIKeyYLPZSOMDUBBFPS-UHFFFAOYSA-O
XLogP0.70
TPSA59.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium with MolForge

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Related Compounds

[2-(3,4-dichloroanilino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium
CID 8551689
N-cyclopropyl-2-[methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]amino]acetamide
CID 8910173
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-cyclopropyl-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 27537384
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467
N-butan-2-yl-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879446
2-amino-3-(5-thiophen-2-yl-1,2-oxazol-3-yl)propanoic acid
CID 170879419
N-(3-methylbutyl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879449
N-(1,2-oxazol-3-yl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879574
N-[4-(4,6-dimethylpyrimidin-2-yl)oxycyclohexyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 90634916
N-(4-methyl-1,3-thiazol-2-yl)-2-(5-thiophen-2-yl-1,2-oxazol-3-yl)acetamide
CID 16879571

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium (CID 8910172) is [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium is C[NH+](CC(=O)NC1CC1)Cc1cc(-c2cccs2)on1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium?
The InChIKey is YLPZSOMDUBBFPS-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H17N3O2S/c1-17(9-14(18)15-10-4-5-10)8-11-7-12(19-16-11)13-3-2-6-20-13/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,15,18)/p+1.
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium?
[2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium has a molecular weight of 292.38 g/mol, XLogP of 0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl]-methyl-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]azanium is sourced from PubChem (CID 8910172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).