N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide

C18H19ClN4O2 — CID 95094169

IUPACN-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cccn1Cc1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN4O2/c1-3-12(2)20-17(24)15-5-4-10-23(15)11-16-21-18(25-22-16)13-6-8-14(19)9-7-13/h4-10,12H,3,11H2,1-2H3,(H,20,24)/t12-/m1/s1
InChIKeyZNPWRZQIVGPLHB-GFCCVEGCSA-N
MW358.83 g/mol
LogP3.77
Rot. Bonds6

About N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide

N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide (PubChem CID 95094169) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide
PubChem CID95094169
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide
SMILESCC[C@@H](C)NC(=O)c1cccn1Cc1noc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H19ClN4O2/c1-3-12(2)20-17(24)15-5-4-10-23(15)11-16-21-18(25-22-16)13-6-8-14(19)9-7-13/h4-10,12H,3,11H2,1-2H3,(H,20,24)/t12-/m1/s1
InChIKeyZNPWRZQIVGPLHB-GFCCVEGCSA-N
XLogP3.77
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 53138340
(4-ethylpiperazin-1-yl)-[1-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrol-2-yl]methanone
CID 53138332
N-[[(2R)-oxolan-2-yl]methyl]-1-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
CID 95094168
1-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-3-yl]ethanol
CID 115966872
3-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfonyl]-2-methylpropan-1-ol
CID 111469816
(S)-[1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-2-yl]-phenylmethanol
CID 97307458
N-[(2S)-butan-2-yl]-4-[3-[2-[methyl-[(2-methylphenyl)carbamoyl]amino]ethyl]-1,2,4-oxadiazol-5-yl]benzamide
CID 92895742
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]propanoic acid
CID 43352454
4-chloro-N-[2-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 91907246
2-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl-methylamino]acetic acid
CID 43442524
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 92870339
N-[(4-bromophenyl)methyl]-1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrrole-2-carboxamide
CID 53138261

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide?
The IUPAC name of N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide (CID 95094169) is N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide is CC[C@@H](C)NC(=O)c1cccn1Cc1noc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide?
The InChIKey is ZNPWRZQIVGPLHB-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-3-12(2)20-17(24)15-5-4-10-23(15)11-16-21-18(25-22-16)13-6-8-14(19)9-7-13/h4-10,12H,3,11H2,1-2H3,(H,20,24)/t12-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide?
N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-1-[[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 95094169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).