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

C12H13N3O2S — CID 119698090

IUPAC1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2coc(-c3cccs3)n2)CC1
InChIInChI=1S/C12H13N3O2S/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)
InChIKeyMHFWMNGWORXLCV-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.51
Rot. Bonds4

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

1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 119698090) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
PubChem CID119698090
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCc2coc(-c3cccs3)n2)CC1
InChIInChI=1S/C12H13N3O2S/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)
InChIKeyMHFWMNGWORXLCV-UHFFFAOYSA-N
XLogP1.51
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.51
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 with MolForge

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Related Compounds

1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
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
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
N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]quinoline-4-carboxamide
CID 78832475

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?
The IUPAC name of 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide (CID 119698090) is 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide is 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?
The InChIKey is MHFWMNGWORXLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/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).
What are the key properties of 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide?
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 263.32 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 1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119698090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).