N-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide

C12H11ClN2O3S — CID 167786001

IUPACN-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide
SMILESCC1(c2nocc2C(=O)Nc2ccsc2Cl)COC1
InChIInChI=1S/C12H11ClN2O3S/c1-12(5-17-6-12)9-7(4-18-15-9)11(16)14-8-2-3-19-10(8)13/h2-4H,5-6H2,1H3,(H,14,16)
InChIKeyCZVMFGBCYYGTRA-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.93
Rot. Bonds3

About N-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide

N-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide (PubChem CID 167786001) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is N-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide
PubChem CID167786001
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC NameN-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide
SMILESCC1(c2nocc2C(=O)Nc2ccsc2Cl)COC1
InChIInChI=1S/C12H11ClN2O3S/c1-12(5-17-6-12)9-7(4-18-15-9)11(16)14-8-2-3-19-10(8)13/h2-4H,5-6H2,1H3,(H,14,16)
InChIKeyCZVMFGBCYYGTRA-UHFFFAOYSA-N
XLogP2.93
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide (CID 167786001) is N-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide is CC1(c2nocc2C(=O)Nc2ccsc2Cl)COC1.
What is the InChIKey of N-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide?
The InChIKey is CZVMFGBCYYGTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c1-12(5-17-6-12)9-7(4-18-15-9)11(16)14-8-2-3-19-10(8)13/h2-4H,5-6H2,1H3,(H,14,16).
What are the key properties of N-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide?
N-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide has a molecular weight of 298.75 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorothiophen-3-yl)-3-(3-methyloxetan-3-yl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 167786001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).