N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride

C10H12ClN3O2S — CID 19768665

IUPACN-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1ncoc1-c1cccs1
InChIInChI=1S/C10H11N3O2S.ClH/c11-3-4-12-10(14)8-9(15-6-13-8)7-2-1-5-16-7;/h1-2,5-6H,3-4,11H2,(H,12,14);1H
InChIKeyOKBOPGPJMBEDKD-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.51
Rot. Bonds4

About N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride

N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 19768665) has the molecular formula C10H12ClN3O2S and a molecular weight of 273.74 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID19768665
Molecular FormulaC10H12ClN3O2S
Molecular Weight273.74 g/mol
Exact Mass273.03
IUPAC NameN-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1ncoc1-c1cccs1
InChIInChI=1S/C10H11N3O2S.ClH/c11-3-4-12-10(14)8-9(15-6-13-8)7-2-1-5-16-7;/h1-2,5-6H,3-4,11H2,(H,12,14);1H
InChIKeyOKBOPGPJMBEDKD-UHFFFAOYSA-N
XLogP1.51
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methylsulfanylphenyl)ethyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 46347121
N-(2-aminoethyl)-5-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 19768623
N-(2-carbamoylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 16672225
N-(3-fluoro-4-methylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 46347104
N-(4-propan-2-ylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 20963618
N-(3-ethylphenyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 46347103
N-(2-aminoethyl)thiophene-2-carboxamide
CID 4649097
N-(6-benzamido-3-pyridinyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 75467874
N-[(4S)-1-oxaspiro[5.5]undecan-4-yl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 97079001
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
N-[4-(1-morpholin-4-ylethyl)phenyl]-5-thiophen-2-yl-1,3-oxazole-4-carboxamide
CID 75463337
N-(2-aminoethyl)-2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 119384938

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride (CID 19768665) is N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride is Cl.NCCNC(=O)c1ncoc1-c1cccs1.
What is the InChIKey of N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is OKBOPGPJMBEDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S.ClH/c11-3-4-12-10(14)8-9(15-6-13-8)7-2-1-5-16-7;/h1-2,5-6H,3-4,11H2,(H,12,14);1H.
What are the key properties of N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride?
N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 273.74 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-thiophen-2-yl-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 19768665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).