N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

C16H15FN4O3 — CID 75522355

IUPACN-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCc1noc(COCC(=O)Nc2ccc(F)cc2-n2cccc2)n1
InChIInChI=1S/C16H15FN4O3/c1-11-18-16(24-20-11)10-23-9-15(22)19-13-5-4-12(17)8-14(13)21-6-2-3-7-21/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyPRASBYGLKAVPMG-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.46
Rot. Bonds6

About N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide

N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (PubChem CID 75522355) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
PubChem CID75522355
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC NameN-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
SMILESCc1noc(COCC(=O)Nc2ccc(F)cc2-n2cccc2)n1
InChIInChI=1S/C16H15FN4O3/c1-11-18-16(24-20-11)10-23-9-15(22)19-13-5-4-12(17)8-14(13)21-6-2-3-7-21/h2-8H,9-10H2,1H3,(H,19,22)
InChIKeyPRASBYGLKAVPMG-UHFFFAOYSA-N
XLogP2.46
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
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CID 86917581
N-(5-benzyl-1,3-thiazol-2-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 71931194
N-(2-fluoro-4-methylphenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 47180517
N-(4-chloro-2-pyrrol-1-ylphenyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 56530498
N-(2-amino-1-naphthalen-2-ylethyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide
CID 120567691
(3-methyl-1,2,4-oxadiazol-5-yl)methyl (2S)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpropanoate
CID 32751861
2-amino-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413315
2-[3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]phenoxy]acetic acid
CID 119231317
3-methyl-2-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetyl]amino]butanoic acid
CID 119170018
2-bromo-4-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The IUPAC name of N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide (CID 75522355) is N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide.
What is the SMILES notation for N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The canonical SMILES for N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is Cc1noc(COCC(=O)Nc2ccc(F)cc2-n2cccc2)n1.
What is the InChIKey of N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
The InChIKey is PRASBYGLKAVPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c1-11-18-16(24-20-11)10-23-9-15(22)19-13-5-4-12(17)8-14(13)21-6-2-3-7-21/h2-8H,9-10H2,1H3,(H,19,22).
What are the key properties of N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide?
N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide has a molecular weight of 330.32 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-pyrrol-1-ylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]acetamide is sourced from PubChem (CID 75522355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).