N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride

C15H21Cl2N3O2S — CID 119616911

IUPACN-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
SMILESCc1oc(-c2cccs2)nc1CC(=O)NC(CN)C1CC1.Cl.Cl
InChIInChI=1S/C15H19N3O2S.2ClH/c1-9-11(18-15(20-9)13-3-2-6-21-13)7-14(19)17-12(8-16)10-4-5-10;;/h2-3,6,10,12H,4-5,7-8,16H2,1H3,(H,17,19);2*1H
InChIKeyMQFRNBBVKZSIGO-UHFFFAOYSA-N
MW378.33 g/mol
LogP2.95
Rot. Bonds6

About N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride

N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride (PubChem CID 119616911) has the molecular formula C15H21Cl2N3O2S and a molecular weight of 378.33 g/mol. Its IUPAC name is N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
PubChem CID119616911
Molecular FormulaC15H21Cl2N3O2S
Molecular Weight378.33 g/mol
Exact Mass377.07
IUPAC NameN-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
SMILESCc1oc(-c2cccs2)nc1CC(=O)NC(CN)C1CC1.Cl.Cl
InChIInChI=1S/C15H19N3O2S.2ClH/c1-9-11(18-15(20-9)13-3-2-6-21-13)7-14(19)17-12(8-16)10-4-5-10;;/h2-3,6,10,12H,4-5,7-8,16H2,1H3,(H,17,19);2*1H
InChIKeyMQFRNBBVKZSIGO-UHFFFAOYSA-N
XLogP2.95
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.33
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-1-cyclopropylethyl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119613142
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938
N-(4-hydroxycyclohexyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 75361365
N-[3-(aminomethyl)pentan-3-yl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119571454
N-(2-methyl-1-phenylpropyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24627992
4-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 119229600
N-[(2R)-2-(ethylamino)propyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 120652186
(2S,3S)-3-methyl-2-[[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]pentanoic acid
CID 119194033
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)acetamide
CID 31765063
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
CID 46542401
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride
CID 119526928
N-[1-(2,4-difluorophenyl)ethyl]-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 24666325

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?
The IUPAC name of N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride (CID 119616911) is N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?
The canonical SMILES for N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride is Cc1oc(-c2cccs2)nc1CC(=O)NC(CN)C1CC1.Cl.Cl.
What is the InChIKey of N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?
The InChIKey is MQFRNBBVKZSIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S.2ClH/c1-9-11(18-15(20-9)13-3-2-6-21-13)7-14(19)17-12(8-16)10-4-5-10;;/h2-3,6,10,12H,4-5,7-8,16H2,1H3,(H,17,19);2*1H.
What are the key properties of N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride?
N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride has a molecular weight of 378.33 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-1-cyclopropylethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide;dihydrochloride is sourced from PubChem (CID 119616911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).