N-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide

C20H17FN4O4 — CID 29135593

IUPACN-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C1CCc2ccc(OCc3noc(C(=O)NCc4cccc(F)c4)n3)cc2N1
InChIInChI=1S/C20H17FN4O4/c21-14-3-1-2-12(8-14)10-22-19(27)20-24-17(25-29-20)11-28-15-6-4-13-5-7-18(26)23-16(13)9-15/h1-4,6,8-9H,5,7,10-11H2,(H,22,27)(H,23,26)
InChIKeyRNODCTRZLKENNP-UHFFFAOYSA-N
MW396.38 g/mol
LogP2.60
Rot. Bonds6

About N-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide

N-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 29135593) has the molecular formula C20H17FN4O4 and a molecular weight of 396.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID29135593
Molecular FormulaC20H17FN4O4
Molecular Weight396.38 g/mol
Exact Mass396.12
IUPAC NameN-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
SMILESO=C1CCc2ccc(OCc3noc(C(=O)NCc4cccc(F)c4)n3)cc2N1
InChIInChI=1S/C20H17FN4O4/c21-14-3-1-2-12(8-14)10-22-19(27)20-24-17(25-29-20)11-28-15-6-4-13-5-7-18(26)23-16(13)9-15/h1-4,6,8-9H,5,7,10-11H2,(H,22,27)(H,23,26)
InChIKeyRNODCTRZLKENNP-UHFFFAOYSA-N
XLogP2.60
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-N-[(2S)-4-phenylbutan-2-yl]-1,2,4-oxadiazole-5-carboxamide
CID 39341350
3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 29130987
7-[[5-(4-hydroxypiperidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 39337849
3-(2-anilino-2-oxoethyl)-N-[(3-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 39332959
N-[(3-chlorophenyl)methyl]-3-[(4-methyl-2-oxochromen-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide
CID 29131878
7-[(4-ethylphenyl)methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 114940161
7-(2-oxopropoxy)-3,4-dihydro-1H-quinolin-2-one
CID 112704281
7-[[4-(quinazolin-2-ylmethoxy)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 54296306
N-[(3-fluorophenyl)methyl]-3-[(3-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5299779
3-[[4-(2-amino-2-oxoethyl)phenoxy]methyl]-N-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 29127360
2-[(4-fluorophenoxy)methyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46149440
4-fluoro-N-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)methyl]benzamide
CID 110781545

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide (CID 29135593) is N-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide is O=C1CCc2ccc(OCc3noc(C(=O)NCc4cccc(F)c4)n3)cc2N1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is RNODCTRZLKENNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O4/c21-14-3-1-2-12(8-14)10-22-19(27)20-24-17(25-29-20)11-28-15-6-4-13-5-7-18(26)23-16(13)9-15/h1-4,6,8-9H,5,7,10-11H2,(H,22,27)(H,23,26).
What are the key properties of N-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide?
N-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 396.38 g/mol, XLogP of 2.60, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-3-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 29135593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).