1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride

C12H14ClN3O2S — CID 119698089

IUPAC1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2coc(-c3cccs3)n2)CC1
InChIInChI=1S/C12H13N3O2S.ClH/c13-12(3-4-12)11(16)14-6-8-7-17-10(15-8)9-2-1-5-18-9;/h1-2,5,7H,3-4,6,13H2,(H,14,16);1H
InChIKeyVNPORCNAXJTVQB-UHFFFAOYSA-N
MW299.78 g/mol
LogP1.93
Rot. Bonds4

About 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride

1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride (PubChem CID 119698089) has the molecular formula C12H14ClN3O2S and a molecular weight of 299.78 g/mol. Its IUPAC name is 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
PubChem CID119698089
Molecular FormulaC12H14ClN3O2S
Molecular Weight299.78 g/mol
Exact Mass299.05
IUPAC Name1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)NCc2coc(-c3cccs3)n2)CC1
InChIInChI=1S/C12H13N3O2S.ClH/c13-12(3-4-12)11(16)14-6-8-7-17-10(15-8)9-2-1-5-18-9;/h1-2,5,7H,3-4,6,13H2,(H,14,16);1H
InChIKeyVNPORCNAXJTVQB-UHFFFAOYSA-N
XLogP1.93
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.78
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
4-(aminomethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
CID 120920453
methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate
CID 86994732
1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
CID 42930050
(2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide
CID 40876316
N-[(4-hydroxyoxan-4-yl)methyl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 111486232
2-(2-methoxyethylamino)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]acetamide;hydrochloride
CID 119698131
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
1-(benzimidazol-1-yl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
CID 41430437
5-(4-fluorophenyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]furan-2-carboxamide
CID 29320925
2-methyl-1-(2-methylcyclopropyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 111960945
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride (CID 119698089) is 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)NCc2coc(-c3cccs3)n2)CC1.
What is the InChIKey of 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
The InChIKey is VNPORCNAXJTVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S.ClH/c13-12(3-4-12)11(16)14-6-8-7-17-10(15-8)9-2-1-5-18-9;/h1-2,5,7H,3-4,6,13H2,(H,14,16);1H.
What are the key properties of 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride?
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride has a molecular weight of 299.78 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119698089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).