N-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide

C16H15ClN4O2 — CID 53138207

IUPACN-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(Cn2cccc2C(=O)Nc2cc(Cl)ccc2C)no1
InChIInChI=1S/C16H15ClN4O2/c1-10-5-6-12(17)8-13(10)19-16(22)14-4-3-7-21(14)9-15-18-11(2)23-20-15/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyQXQSMXVFHSTBJK-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.44
Rot. Bonds4

About N-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide

N-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (PubChem CID 53138207) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
PubChem CID53138207
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC NameN-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(Cn2cccc2C(=O)Nc2cc(Cl)ccc2C)no1
InChIInChI=1S/C16H15ClN4O2/c1-10-5-6-12(17)8-13(10)19-16(22)14-4-3-7-21(14)9-15-18-11(2)23-20-15/h3-8H,9H2,1-2H3,(H,19,22)
InChIKeyQXQSMXVFHSTBJK-UHFFFAOYSA-N
XLogP3.44
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (CID 53138207) is N-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is Cc1nc(Cn2cccc2C(=O)Nc2cc(Cl)ccc2C)no1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is QXQSMXVFHSTBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-10-5-6-12(17)8-13(10)19-16(22)14-4-3-7-21(14)9-15-18-11(2)23-20-15/h3-8H,9H2,1-2H3,(H,19,22).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
N-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 330.78 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 53138207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).