N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide

C16H12N2O4S — CID 53143344

IUPACN-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc4c(c3)OCO4)on2)s1
InChIInChI=1S/C16H12N2O4S/c1-9-2-5-14(23-9)11-7-15(22-18-11)17-16(19)10-3-4-12-13(6-10)21-8-20-12/h2-7H,8H2,1H3,(H,17,19)
InChIKeyGGKMXNMKAQWZGI-UHFFFAOYSA-N
MW328.35 g/mol
LogP3.69
Rot. Bonds3

About N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide

N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide (PubChem CID 53143344) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide
PubChem CID53143344
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC NameN-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)c3ccc4c(c3)OCO4)on2)s1
InChIInChI=1S/C16H12N2O4S/c1-9-2-5-14(23-9)11-7-15(22-18-11)17-16(19)10-3-4-12-13(6-10)21-8-20-12/h2-7H,8H2,1H3,(H,17,19)
InChIKeyGGKMXNMKAQWZGI-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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Related Compounds

3-methyl-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]benzamide
CID 53143345
N-(3-pyridin-2-yl-1,2-oxazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 53143107
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 847128
N-(3,5-dimethyl-1H-pyrazol-4-yl)-1,3-benzodioxole-5-carboxamide
CID 43399101
N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 1292865
5-(1,3-benzodioxole-5-carbonylamino)-3-thiophen-2-yl-1,2-oxazole-4-carboxylic acid
CID 142774002
N-(5-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 669665
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-1,3-benzodioxole-5-carboxamide
CID 64556664
N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)-1,3-benzodioxole-5-carboxamide
CID 45283580
N-(2H-tetrazol-5-yl)-1,3-benzodioxole-5-carboxamide
CID 897407
N-(4-amino-2,6-dimethylphenyl)-1,3-benzodioxole-5-carboxamide
CID 50880688
ethyl 2-(1,3-benzodioxole-5-carbonylamino)-4,5-dimethylthiophene-3-carboxylate
CID 673523

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide (CID 53143344) is N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide is Cc1ccc(-c2cc(NC(=O)c3ccc4c(c3)OCO4)on2)s1.
What is the InChIKey of N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide?
The InChIKey is GGKMXNMKAQWZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c1-9-2-5-14(23-9)11-7-15(22-18-11)17-16(19)10-3-4-12-13(6-10)21-8-20-12/h2-7H,8H2,1H3,(H,17,19).
What are the key properties of N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide?
N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-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-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 53143344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).