N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide

C17H18FN5O2 — CID 72839937

IUPACN-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1NC(=O)N1CCCC1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C17H18FN5O2/c1-9-15(10(2)25-22-9)21-17(24)23-7-3-4-14(23)16-19-12-6-5-11(18)8-13(12)20-16/h5-6,8,14H,3-4,7H2,1-2H3,(H,19,20)(H,21,24)
InChIKeyUATSNAMUORTKKD-UHFFFAOYSA-N
MW343.36 g/mol
LogP3.68
Rot. Bonds2

About N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide

N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 72839937) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID72839937
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC NameN-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1NC(=O)N1CCCC1c1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C17H18FN5O2/c1-9-15(10(2)25-22-9)21-17(24)23-7-3-4-14(23)16-19-12-6-5-11(18)8-13(12)20-16/h5-6,8,14H,3-4,7H2,1-2H3,(H,19,20)(H,21,24)
InChIKeyUATSNAMUORTKKD-UHFFFAOYSA-N
XLogP3.68
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-4-methyl-1,3-oxazol-5-yl)-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 70737169
(2R)-N-[(3,5-dimethylphenyl)methyl]-2-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carboxamide
CID 126441068
(2R)-N-(2,3-dihydro-1H-inden-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
CID 125158817
(2S)-N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide
CID 126448278
[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[5-(5-methylfuran-2-yl)-1,2-oxazol-3-yl]methanone
CID 146024697
2,1,3-benzoxadiazol-5-yl-[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 95897263
2-(azepan-1-yl)-1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 95206662
[(2S)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95873622
[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-(2-methyl-1-benzofuran-5-yl)methanone
CID 95873621
1-[(2R)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 125172884
1-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 118780655
3-[2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]-4-methyl-1-piperidin-4-ylpyridin-2-one
CID 172655187

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide (CID 72839937) is N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide is Cc1noc(C)c1NC(=O)N1CCCC1c1nc2ccc(F)cc2[nH]1.
What is the InChIKey of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is UATSNAMUORTKKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-9-15(10(2)25-22-9)21-17(24)23-7-3-4-14(23)16-19-12-6-5-11(18)8-13(12)20-16/h5-6,8,14H,3-4,7H2,1-2H3,(H,19,20)(H,21,24).
What are the key properties of N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide?
N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 343.36 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1,2-oxazol-4-yl)-2-(6-fluoro-1H-benzimidazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 72839937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).