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

C19H15BrN4O2 — CID 51126351

IUPACN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-bromo-1H-indole-2-carboxamide
SMILESO=C(NCc1nc(Cc2ccccc2)no1)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C19H15BrN4O2/c20-17-13-8-4-5-9-14(13)22-18(17)19(25)21-11-16-23-15(24-26-16)10-12-6-2-1-3-7-12/h1-9,22H,10-11H2,(H,21,25)
InChIKeyPVIFDWDCPHTEBR-UHFFFAOYSA-N
MW411.26 g/mol
LogP3.83
Rot. Bonds5

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

N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-bromo-1H-indole-2-carboxamide (PubChem CID 51126351) has the molecular formula C19H15BrN4O2 and a molecular weight of 411.26 g/mol. Its IUPAC name is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-bromo-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-bromo-1H-indole-2-carboxamide
PubChem CID51126351
Molecular FormulaC19H15BrN4O2
Molecular Weight411.26 g/mol
Exact Mass410.04
IUPAC NameN-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-bromo-1H-indole-2-carboxamide
SMILESO=C(NCc1nc(Cc2ccccc2)no1)c1[nH]c2ccccc2c1Br
InChIInChI=1S/C19H15BrN4O2/c20-17-13-8-4-5-9-14(13)22-18(17)19(25)21-11-16-23-15(24-26-16)10-12-6-2-1-3-7-12/h1-9,22H,10-11H2,(H,21,25)
InChIKeyPVIFDWDCPHTEBR-UHFFFAOYSA-N
XLogP3.83
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.26
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(benzylamino)-2-oxoethyl]-3-bromo-1H-indole-2-carboxamide
CID 55818483
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutanecarboxamide
CID 47437849
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-1-phenylmethanamine
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2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylacetamide
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CID 131933975
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methylamino]-N-methylpropanamide
CID 61464371
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-(2,4-difluorophenyl)urea
CID 47081549
(5R)-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-5-tert-butyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 92614488
1-(3-benzyl-1,2,4-oxadiazol-5-yl)pentan-2-one
CID 63346618
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CID 70753464
2-amino-N-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide;hydrochloride
CID 120834184
N'-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]oxamide
CID 166195854

Frequently Asked Questions

What is the IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-bromo-1H-indole-2-carboxamide?
The IUPAC name of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-bromo-1H-indole-2-carboxamide (CID 51126351) is N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-bromo-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-bromo-1H-indole-2-carboxamide?
The canonical SMILES for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-bromo-1H-indole-2-carboxamide is O=C(NCc1nc(Cc2ccccc2)no1)c1[nH]c2ccccc2c1Br.
What is the InChIKey of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-bromo-1H-indole-2-carboxamide?
The InChIKey is PVIFDWDCPHTEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O2/c20-17-13-8-4-5-9-14(13)22-18(17)19(25)21-11-16-23-15(24-26-16)10-12-6-2-1-3-7-12/h1-9,22H,10-11H2,(H,21,25).
What are the key properties of N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-bromo-1H-indole-2-carboxamide?
N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-bromo-1H-indole-2-carboxamide has a molecular weight of 411.26 g/mol, XLogP of 3.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-bromo-1H-indole-2-carboxamide is sourced from PubChem (CID 51126351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).