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

C23H18BrN3O2 — CID 17436001

IUPACN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide
SMILESO=C(c1ccc2ccccc2c1)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1
InChIInChI=1S/C23H18BrN3O2/c24-20-8-4-3-7-19(20)22-26-25-21(29-22)14-27(18-11-12-18)23(28)17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13,18H,11-12,14H2
InChIKeyPWGUHHJNQDYLFE-UHFFFAOYSA-N
MW448.32 g/mol
LogP5.46
Rot. Bonds5

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

N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide (PubChem CID 17436001) has the molecular formula C23H18BrN3O2 and a molecular weight of 448.32 g/mol. Its IUPAC name is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide
PubChem CID17436001
Molecular FormulaC23H18BrN3O2
Molecular Weight448.32 g/mol
Exact Mass447.06
IUPAC NameN-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide
SMILESO=C(c1ccc2ccccc2c1)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1
InChIInChI=1S/C23H18BrN3O2/c24-20-8-4-3-7-19(20)22-26-25-21(29-22)14-27(18-11-12-18)23(28)17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13,18H,11-12,14H2
InChIKeyPWGUHHJNQDYLFE-UHFFFAOYSA-N
XLogP5.46
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.32
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylbenzamide
CID 4806431
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-ethoxypyridine-3-carboxamide
CID 26905518
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3,4-dimethoxybenzamide
CID 16557620
2-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl-cyclopropylamino]ethanol
CID 61068997
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-3-(dimethylamino)benzamide
CID 16557614
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-1-benzofuran-2-carboxamide
CID 8011669
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-4-propan-2-yloxybenzamide
CID 16557574
3,4,5,6-tetrachloro-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylpyridine-2-carboxamide
CID 16557654
N-(2-bromoethyl)-N-cyclopropylnaphthalene-2-carboxamide
CID 80665126
4-bromo-N-cyclopropyl-N-[[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 4798337
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 17405821
(1R)-N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-cyclopropyl-N-methylethanamine
CID 94819411

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide?
The IUPAC name of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide (CID 17436001) is N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide.
What is the SMILES notation for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide?
The canonical SMILES for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide is O=C(c1ccc2ccccc2c1)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1.
What is the InChIKey of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide?
The InChIKey is PWGUHHJNQDYLFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O2/c24-20-8-4-3-7-19(20)22-26-25-21(29-22)14-27(18-11-12-18)23(28)17-10-9-15-5-1-2-6-16(15)13-17/h1-10,13,18H,11-12,14H2.
What are the key properties of N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide?
N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide has a molecular weight of 448.32 g/mol, XLogP of 5.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropylnaphthalene-2-carboxamide is sourced from PubChem (CID 17436001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).