N-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide

C18H17ClN4O2 — CID 53114539

IUPACN-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESO=C(Cn1cccc1-c1nnc(C2CC2)o1)NCc1ccccc1Cl
InChIInChI=1S/C18H17ClN4O2/c19-14-5-2-1-4-13(14)10-20-16(24)11-23-9-3-6-15(23)18-22-21-17(25-18)12-7-8-12/h1-6,9,12H,7-8,10-11H2,(H,20,24)
InChIKeyQKEMZFXQKMVRHU-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.39
Rot. Bonds6

About N-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide

N-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (PubChem CID 53114539) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
PubChem CID53114539
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide
SMILESO=C(Cn1cccc1-c1nnc(C2CC2)o1)NCc1ccccc1Cl
InChIInChI=1S/C18H17ClN4O2/c19-14-5-2-1-4-13(14)10-20-16(24)11-23-9-3-6-15(23)18-22-21-17(25-18)12-7-8-12/h1-6,9,12H,7-8,10-11H2,(H,20,24)
InChIKeyQKEMZFXQKMVRHU-UHFFFAOYSA-N
XLogP3.39
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide (CID 53114539) is N-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is O=C(Cn1cccc1-c1nnc(C2CC2)o1)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
The InChIKey is QKEMZFXQKMVRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c19-14-5-2-1-4-13(14)10-20-16(24)11-23-9-3-6-15(23)18-22-21-17(25-18)12-7-8-12/h1-6,9,12H,7-8,10-11H2,(H,20,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide has a molecular weight of 356.81 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[2-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 53114539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).