3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H19ClN2O3S — CID 75416166

IUPAC3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(CN(C(=O)C2CC(c3ccc(Cl)s3)=NO2)C(C)C)o1
InChIInChI=1S/C17H19ClN2O3S/c1-10(2)20(9-12-5-4-11(3)22-12)17(21)14-8-13(19-23-14)15-6-7-16(18)24-15/h4-7,10,14H,8-9H2,1-3H3
InChIKeyUHACCIRYWJLAGA-UHFFFAOYSA-N
MW366.87 g/mol
LogP4.23
Rot. Bonds5

About 3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 75416166) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID75416166
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC Name3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCc1ccc(CN(C(=O)C2CC(c3ccc(Cl)s3)=NO2)C(C)C)o1
InChIInChI=1S/C17H19ClN2O3S/c1-10(2)20(9-12-5-4-11(3)22-12)17(21)14-8-13(19-23-14)15-6-7-16(18)24-15/h4-7,10,14H,8-9H2,1-3H3
InChIKeyUHACCIRYWJLAGA-UHFFFAOYSA-N
XLogP4.23
TPSA55.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 75416166) is 3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is Cc1ccc(CN(C(=O)C2CC(c3ccc(Cl)s3)=NO2)C(C)C)o1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is UHACCIRYWJLAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-10(2)20(9-12-5-4-11(3)22-12)17(21)14-8-13(19-23-14)15-6-7-16(18)24-15/h4-7,10,14H,8-9H2,1-3H3.
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-[(5-methylfuran-2-yl)methyl]-N-propan-2-yl-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75416166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).