2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole

C19H18BrN3O — CID 43913162

IUPAC2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESBrc1cccc(-c2nnc(CN3CCC(c4ccccc4)C3)o2)c1
InChIInChI=1S/C19H18BrN3O/c20-17-8-4-7-15(11-17)19-22-21-18(24-19)13-23-10-9-16(12-23)14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2
InChIKeyWXDGMSVUQRWSFD-UHFFFAOYSA-N
MW384.28 g/mol
LogP4.49
Rot. Bonds4

About 2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole

2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 43913162) has the molecular formula C19H18BrN3O and a molecular weight of 384.28 g/mol. Its IUPAC name is 2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID43913162
Molecular FormulaC19H18BrN3O
Molecular Weight384.28 g/mol
Exact Mass383.06
IUPAC Name2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
SMILESBrc1cccc(-c2nnc(CN3CCC(c4ccccc4)C3)o2)c1
InChIInChI=1S/C19H18BrN3O/c20-17-8-4-7-15(11-17)19-22-21-18(24-19)13-23-10-9-16(12-23)14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2
InChIKeyWXDGMSVUQRWSFD-UHFFFAOYSA-N
XLogP4.49
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.28
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913168
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
1-[[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 47473957
2-(azepan-1-ylmethyl)-5-(3-bromophenyl)-1,3,4-oxadiazole;hydrochloride
CID 126460668
2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643063
N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide
CID 118173534
4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404
2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 86773571
4-methyl-1-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-ol
CID 103898257
2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 71901584
2-methyl-5-[[3-(3-phenoxyphenyl)pyrrolidin-1-yl]methyl]-1,3,4-oxadiazole
CID 75375417
12-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-8-oxa-2,3,4,12-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene
CID 156607628

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole (CID 43913162) is 2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole is Brc1cccc(-c2nnc(CN3CCC(c4ccccc4)C3)o2)c1.
What is the InChIKey of 2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is WXDGMSVUQRWSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrN3O/c20-17-8-4-7-15(11-17)19-22-21-18(24-19)13-23-10-9-16(12-23)14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2.
What are the key properties of 2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole?
2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 384.28 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 43913162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).