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

C16H22N4O2 — CID 53138209

IUPACN-cycloheptyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(Cn2cccc2C(=O)NC2CCCCCC2)no1
InChIInChI=1S/C16H22N4O2/c1-12-17-15(19-22-12)11-20-10-6-9-14(20)16(21)18-13-7-4-2-3-5-8-13/h6,9-10,13H,2-5,7-8,11H2,1H3,(H,18,21)
InChIKeyBTEGYDYGNUHEMD-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.68
Rot. Bonds4

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

N-cycloheptyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (PubChem CID 53138209) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-cycloheptyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
PubChem CID53138209
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-cycloheptyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
SMILESCc1nc(Cn2cccc2C(=O)NC2CCCCCC2)no1
InChIInChI=1S/C16H22N4O2/c1-12-17-15(19-22-12)11-20-10-6-9-14(20)16(21)18-13-7-4-2-3-5-8-13/h6,9-10,13H,2-5,7-8,11H2,1H3,(H,18,21)
InChIKeyBTEGYDYGNUHEMD-UHFFFAOYSA-N
XLogP2.68
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of N-cycloheptyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide (CID 53138209) is N-cycloheptyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is Cc1nc(Cn2cccc2C(=O)NC2CCCCCC2)no1.
What is the InChIKey of N-cycloheptyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is BTEGYDYGNUHEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-17-15(19-22-12)11-20-10-6-9-14(20)16(21)18-13-7-4-2-3-5-8-13/h6,9-10,13H,2-5,7-8,11H2,1H3,(H,18,21).
What are the key properties of N-cycloheptyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide?
N-cycloheptyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 53138209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).