N-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide

C16H12N2O4S — CID 46347273

IUPACN-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)Nc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C16H12N2O4S/c1-9-2-5-13(23-9)15-14(17-7-20-15)16(19)18-10-3-4-11-12(6-10)22-8-21-11/h2-7H,8H2,1H3,(H,18,19)
InChIKeyPHECKAKCCVQIOU-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.69
Rot. Bonds3

About N-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide

N-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 46347273) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID46347273
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC NameN-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
SMILESCc1ccc(-c2ocnc2C(=O)Nc2ccc3c(c2)OCO3)s1
InChIInChI=1S/C16H12N2O4S/c1-9-2-5-13(23-9)15-14(17-7-20-15)16(19)18-10-3-4-11-12(6-10)22-8-21-11/h2-7H,8H2,1H3,(H,18,19)
InChIKeyPHECKAKCCVQIOU-UHFFFAOYSA-N
XLogP3.69
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide (CID 46347273) is N-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide is Cc1ccc(-c2ocnc2C(=O)Nc2ccc3c(c2)OCO3)s1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is PHECKAKCCVQIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c1-9-2-5-13(23-9)15-14(17-7-20-15)16(19)18-10-3-4-11-12(6-10)22-8-21-11/h2-7H,8H2,1H3,(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
N-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 328.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46347273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).