4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide

C14H11BrN4O2 — CID 60954664

IUPAC4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C14H11BrN4O2/c1-8-2-3-9(14-19-17-7-21-14)4-11(8)18-13(20)12-5-10(15)6-16-12/h2-7,16H,1H3,(H,18,20)
InChIKeyLZLVOSPUBNNFKD-UHFFFAOYSA-N
MW347.17 g/mol
LogP3.39
Rot. Bonds3

About 4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide

4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 60954664) has the molecular formula C14H11BrN4O2 and a molecular weight of 347.17 g/mol. Its IUPAC name is 4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID60954664
Molecular FormulaC14H11BrN4O2
Molecular Weight347.17 g/mol
Exact Mass346.01
IUPAC Name4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(-c2nnco2)cc1NC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C14H11BrN4O2/c1-8-2-3-9(14-19-17-7-21-14)4-11(8)18-13(20)12-5-10(15)6-16-12/h2-7,16H,1H3,(H,18,20)
InChIKeyLZLVOSPUBNNFKD-UHFFFAOYSA-N
XLogP3.39
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.17
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618296
2-chloro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]furan-3-carboxamide
CID 106685977
5-(difluoromethyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrazole-3-carboxamide
CID 166323565
2-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
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3-[2-methyl-5-(1,3,4-oxadiazol-2-yl)anilino]-3-oxopropanoic acid
CID 62230630
2,2,2-trifluoro-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 63374700
4-bromo-3-(dimethylsulfamoyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 55731590
3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 63679608
4-(methylamino)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 60842599
2-amino-3-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]butanamide
CID 43706124
4-bromo-N-(4-methyl-3-pyridinyl)-1H-pyrrole-2-carboxamide
CID 55220101
2-(4-tert-butylphenyl)-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-oxoacetamide
CID 75417439

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide (CID 60954664) is 4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide is Cc1ccc(-c2nnco2)cc1NC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is LZLVOSPUBNNFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2/c1-8-2-3-9(14-19-17-7-21-14)4-11(8)18-13(20)12-5-10(15)6-16-12/h2-7,16H,1H3,(H,18,20).
What are the key properties of 4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide?
4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 347.17 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 60954664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).