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

C12H15BrN4O2 — CID 54903625

IUPAC4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCc1nc(C)no1
InChIInChI=1S/C12H15BrN4O2/c1-3-4-17-7-9(13)5-10(17)12(18)14-6-11-15-8(2)16-19-11/h5,7H,3-4,6H2,1-2H3,(H,14,18)
InChIKeyCBAWXTDLCKDQAO-UHFFFAOYSA-N
MW327.18 g/mol
LogP2.28
Rot. Bonds5

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

4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide (PubChem CID 54903625) has the molecular formula C12H15BrN4O2 and a molecular weight of 327.18 g/mol. Its IUPAC name is 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide
PubChem CID54903625
Molecular FormulaC12H15BrN4O2
Molecular Weight327.18 g/mol
Exact Mass326.04
IUPAC Name4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide
SMILESCCCn1cc(Br)cc1C(=O)NCc1nc(C)no1
InChIInChI=1S/C12H15BrN4O2/c1-3-4-17-7-9(13)5-10(17)12(18)14-6-11-15-8(2)16-19-11/h5,7H,3-4,6H2,1-2H3,(H,14,18)
InChIKeyCBAWXTDLCKDQAO-UHFFFAOYSA-N
XLogP2.28
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.18
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 106413341
2,5-dimethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrazole-3-carboxamide
CID 146086539
N-[[4-(aminomethyl)phenyl]methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 81093916
N-[(4-aminophenyl)methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 116650037
4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-ethylpyrrole-2-carboxamide
CID 78916943
4-bromo-N-[(1-methylpyrrol-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 114186333
4-bromo-N-(3-hydroxypropyl)-1-propylpyrrole-2-carboxamide
CID 43639903
3-[(4-bromo-1-propylpyrrole-2-carbonyl)amino]-2-methylpropanoic acid
CID 62675869
4-bromo-N-(cyclopropylmethyl)-1-propylpyrrole-2-carboxamide
CID 43640684
4-amino-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 106368803
4-bromo-N-[(2,5-difluorophenyl)methyl]-1-propylpyrrole-2-carboxamide
CID 63793142
4-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-propylpyrrole-2-carboxamide
CID 103007206

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide?
The IUPAC name of 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide (CID 54903625) is 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide is CCCn1cc(Br)cc1C(=O)NCc1nc(C)no1.
What is the InChIKey of 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide?
The InChIKey is CBAWXTDLCKDQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O2/c1-3-4-17-7-9(13)5-10(17)12(18)14-6-11-15-8(2)16-19-11/h5,7H,3-4,6H2,1-2H3,(H,14,18).
What are the key properties of 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide?
4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide has a molecular weight of 327.18 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-propylpyrrole-2-carboxamide is sourced from PubChem (CID 54903625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).