[(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate

C20H19FN4O4 — CID 139558097

IUPAC[(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate
SMILESNC(=O)OC/C(=C\F)Cn1ncn(-c2ccc(OCc3ccccc3)cc2)c1=O
InChIInChI=1S/C20H19FN4O4/c21-10-16(13-29-19(22)26)11-25-20(27)24(14-23-25)17-6-8-18(9-7-17)28-12-15-4-2-1-3-5-15/h1-10,14H,11-13H2,(H2,22,26)/b16-10-
InChIKeyAQNHYEXCXBTOMH-YBEGLDIGSA-N
MW398.39 g/mol
LogP2.56
Rot. Bonds8

About [(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate

[(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate (PubChem CID 139558097) has the molecular formula C20H19FN4O4 and a molecular weight of 398.39 g/mol. Its IUPAC name is [(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate.

Molecular Properties

Compound Name[(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate
PubChem CID139558097
Molecular FormulaC20H19FN4O4
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name[(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate
SMILESNC(=O)OC/C(=C\F)Cn1ncn(-c2ccc(OCc3ccccc3)cc2)c1=O
InChIInChI=1S/C20H19FN4O4/c21-10-16(13-29-19(22)26)11-25-20(27)24(14-23-25)17-6-8-18(9-7-17)28-12-15-4-2-1-3-5-15/h1-10,14H,11-13H2,(H2,22,26)/b16-10-
InChIKeyAQNHYEXCXBTOMH-YBEGLDIGSA-N
XLogP2.56
TPSA101.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate with MolForge

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Related Compounds

[2-[[4-(4-bromo-2,5-difluorophenyl)-5-oxo-1,2,4-triazol-1-yl]methyl]-3-fluoroprop-2-enyl] carbamate
CID 175477994
2-(4-phenylmethoxyphenoxy)ethyl carbamate
CID 175203951
bis[(4-phenylmethoxyphenyl)methyl] propanedioate
CID 57028067
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945
4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide
CID 21089386
N-carbamoyl-2-(4-phenylmethoxyphenoxy)acetamide
CID 7950498
(2-amino-2-oxoethyl) 4-phenylmethoxybenzoate
CID 2607609
(5S)-2-methyl-5-(4-phenylmethoxyphenyl)pyrrolidine-1-carboxamide
CID 91514351
(1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate
CID 2555543
[4-[3-(4-fluorophenyl)imidazole-4-carbonyl]piperazin-1-yl]-(4-phenylmethoxyphenyl)methanone
CID 112829933
4-phenylmethoxybenzoyl fluoride
CID 154719359
[2-oxo-2-[4-(5-phenylmethoxy-2-pyridinyl)piperazin-1-yl]ethyl] carbamate
CID 67376976

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate?
The IUPAC name of [(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate (CID 139558097) is [(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate.
What is the SMILES notation for [(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate?
The canonical SMILES for [(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate is NC(=O)OC/C(=C\F)Cn1ncn(-c2ccc(OCc3ccccc3)cc2)c1=O.
What is the InChIKey of [(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate?
The InChIKey is AQNHYEXCXBTOMH-YBEGLDIGSA-N. The full InChI is InChI=1S/C20H19FN4O4/c21-10-16(13-29-19(22)26)11-25-20(27)24(14-23-25)17-6-8-18(9-7-17)28-12-15-4-2-1-3-5-15/h1-10,14H,11-13H2,(H2,22,26)/b16-10-.
What are the key properties of [(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate?
[(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate has a molecular weight of 398.39 g/mol, XLogP of 2.56, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-fluoro-2-[[5-oxo-4-(4-phenylmethoxyphenyl)-1,2,4-triazol-1-yl]methyl]prop-2-enyl] carbamate is sourced from PubChem (CID 139558097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).