N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide

C12H14N4O4S — CID 166337225

IUPACN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)NS(=O)(=O)Cc2noc(C3CC3)n2)c1
InChIInChI=1S/C12H14N4O4S/c1-16-5-4-9(6-16)11(17)15-21(18,19)7-10-13-12(20-14-10)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,15,17)
InChIKeyCAUZDKVJPCSJDN-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.55
Rot. Bonds5

About N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide

N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide (PubChem CID 166337225) has the molecular formula C12H14N4O4S and a molecular weight of 310.34 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide
PubChem CID166337225
Molecular FormulaC12H14N4O4S
Molecular Weight310.34 g/mol
Exact Mass310.07
IUPAC NameN-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide
SMILESCn1ccc(C(=O)NS(=O)(=O)Cc2noc(C3CC3)n2)c1
InChIInChI=1S/C12H14N4O4S/c1-16-5-4-9(6-16)11(17)15-21(18,19)7-10-13-12(20-14-10)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,15,17)
InChIKeyCAUZDKVJPCSJDN-UHFFFAOYSA-N
XLogP0.55
TPSA107.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-3-(methylsulfonylmethyl)-1,2,4-oxadiazole
CID 47395992
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-propylsulfonylbenzamide
CID 99812815
1-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-methyl-N-pyridin-2-ylmethanesulfonamide
CID 146149333
N-ethyl-4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 55202619
1-[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]-N-methylethanamine
CID 79099859
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-methylphenyl)acetamide
CID 91917581
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-4-[4-(1-hydroxypropyl)phenyl]benzamide
CID 121498861
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethylpyrrole-3-carboxamide
CID 75394998
N-[2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)ethyl]thiophene-2-carboxamide
CID 91907182
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-5-fluoropyridine-3-carboxamide
CID 131918823
1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-3-[(4-methylphenyl)methyl]urea
CID 131949110
[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrol-3-yl]methanol
CID 66399542

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide (CID 166337225) is N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide is Cn1ccc(C(=O)NS(=O)(=O)Cc2noc(C3CC3)n2)c1.
What is the InChIKey of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide?
The InChIKey is CAUZDKVJPCSJDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4S/c1-16-5-4-9(6-16)11(17)15-21(18,19)7-10-13-12(20-14-10)8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,15,17).
What are the key properties of N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide?
N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide has a molecular weight of 310.34 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methylsulfonyl]-1-methylpyrrole-3-carboxamide is sourced from PubChem (CID 166337225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).