N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide

C12H12BrN3O2 — CID 110393138

IUPACN-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)c1nnc(C(=O)Nc2cccc(Br)c2)o1
InChIInChI=1S/C12H12BrN3O2/c1-7(2)11-15-16-12(18-11)10(17)14-9-5-3-4-8(13)6-9/h3-7H,1-2H3,(H,14,17)
InChIKeyGECBLMPNVABKBE-UHFFFAOYSA-N
MW310.15 g/mol
LogP3.21
Rot. Bonds3

About N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide

N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110393138) has the molecular formula C12H12BrN3O2 and a molecular weight of 310.15 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
PubChem CID110393138
Molecular FormulaC12H12BrN3O2
Molecular Weight310.15 g/mol
Exact Mass309.01
IUPAC NameN-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide
SMILESCC(C)c1nnc(C(=O)Nc2cccc(Br)c2)o1
InChIInChI=1S/C12H12BrN3O2/c1-7(2)11-15-16-12(18-11)10(17)14-9-5-3-4-8(13)6-9/h3-7H,1-2H3,(H,14,17)
InChIKeyGECBLMPNVABKBE-UHFFFAOYSA-N
XLogP3.21
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.15
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-5-(4-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392748
N-(3-bromophenyl)-5-(3-fluorophenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392563
N-(3-bromophenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 7113434
3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368262
N-(3-bromophenyl)-2-hydroxypropanamide
CID 82130318
3-N,5-N-bis(3-bromophenyl)-2,6-dimethylpyridine-3,5-dicarboxamide
CID 56851222
N-(3-bromophenyl)-5-(propan-2-ylamino)pyridine-2-carboxamide
CID 109179798
4-N-(3-bromophenyl)benzene-1,4-dicarboxamide
CID 30844565
2-bromo-N-(3-bromophenyl)-3-methylbutanamide
CID 24698066
2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 54593869
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
N'-(3-bromophenyl)-N-(2-methylpropyl)oxamide
CID 2248971

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide (CID 110393138) is N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide is CC(C)c1nnc(C(=O)Nc2cccc(Br)c2)o1.
What is the InChIKey of N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is GECBLMPNVABKBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O2/c1-7(2)11-15-16-12(18-11)10(17)14-9-5-3-4-8(13)6-9/h3-7H,1-2H3,(H,14,17).
What are the key properties of N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide?
N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 310.15 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110393138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).