N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide

C18H13Cl2N3O2 — CID 5297544

IUPACN-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1)C1CC1
InChIInChI=1S/C18H13Cl2N3O2/c19-13-8-7-11(9-14(13)20)17-22-23-18(25-17)12-3-1-2-4-15(12)21-16(24)10-5-6-10/h1-4,7-10H,5-6H2,(H,21,24)
InChIKeyQNDHPPUPUBBKKH-UHFFFAOYSA-N
MW374.23 g/mol
LogP5.06
Rot. Bonds4

About N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide

N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide (PubChem CID 5297544) has the molecular formula C18H13Cl2N3O2 and a molecular weight of 374.23 g/mol. Its IUPAC name is N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide
PubChem CID5297544
Molecular FormulaC18H13Cl2N3O2
Molecular Weight374.23 g/mol
Exact Mass373.04
IUPAC NameN-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide
SMILESO=C(Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1)C1CC1
InChIInChI=1S/C18H13Cl2N3O2/c19-13-8-7-11(9-14(13)20)17-22-23-18(25-17)12-3-1-2-4-15(12)21-16(24)10-5-6-10/h1-4,7-10H,5-6H2,(H,21,24)
InChIKeyQNDHPPUPUBBKKH-UHFFFAOYSA-N
XLogP5.06
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.23
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide (CID 5297544) is N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide is O=C(Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1)C1CC1.
What is the InChIKey of N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide?
The InChIKey is QNDHPPUPUBBKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2N3O2/c19-13-8-7-11(9-14(13)20)17-22-23-18(25-17)12-3-1-2-4-15(12)21-16(24)10-5-6-10/h1-4,7-10H,5-6H2,(H,21,24).
What are the key properties of N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide?
N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 374.23 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 5297544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).