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

C14H14BrN3O2 — CID 56816010

IUPAC1-(4-bromophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nnc(CNC(=O)C2(c3ccc(Br)cc3)CC2)o1
InChIInChI=1S/C14H14BrN3O2/c1-9-17-18-12(20-9)8-16-13(19)14(6-7-14)10-2-4-11(15)5-3-10/h2-5H,6-8H2,1H3,(H,16,19)
InChIKeyCZTDHJSLGPLGHK-UHFFFAOYSA-N
MW336.19 g/mol
LogP2.49
Rot. Bonds4

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

1-(4-bromophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 56816010) has the molecular formula C14H14BrN3O2 and a molecular weight of 336.19 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID56816010
Molecular FormulaC14H14BrN3O2
Molecular Weight336.19 g/mol
Exact Mass335.03
IUPAC Name1-(4-bromophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1nnc(CNC(=O)C2(c3ccc(Br)cc3)CC2)o1
InChIInChI=1S/C14H14BrN3O2/c1-9-17-18-12(20-9)8-16-13(19)14(6-7-14)10-2-4-11(15)5-3-10/h2-5H,6-8H2,1H3,(H,16,19)
InChIKeyCZTDHJSLGPLGHK-UHFFFAOYSA-N
XLogP2.49
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropane-1-carboxamide (CID 56816010) is 1-(4-bromophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropane-1-carboxamide is Cc1nnc(CNC(=O)C2(c3ccc(Br)cc3)CC2)o1.
What is the InChIKey of 1-(4-bromophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is CZTDHJSLGPLGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O2/c1-9-17-18-12(20-9)8-16-13(19)14(6-7-14)10-2-4-11(15)5-3-10/h2-5H,6-8H2,1H3,(H,16,19).
What are the key properties of 1-(4-bromophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropane-1-carboxamide?
1-(4-bromophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 56816010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).