2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one

C19H18FN5O2 — CID 126491266

IUPAC2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one
SMILESC/C=C(/c1ncco1)N(Cc1ccccc1F)/N=C/c1ncc(C)c(=O)[nH]1
InChIInChI=1S/C19H18FN5O2/c1-3-16(19-21-8-9-27-19)25(12-14-6-4-5-7-15(14)20)23-11-17-22-10-13(2)18(26)24-17/h3-11H,12H2,1-2H3,(H,22,24,26)/b16-3-,23-11+
InChIKeyITSCBYSNVKXQKK-WOFFMTOKSA-N
MW367.38 g/mol
LogP3.10
Rot. Bonds6

About 2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one

2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one (PubChem CID 126491266) has the molecular formula C19H18FN5O2 and a molecular weight of 367.38 g/mol. Its IUPAC name is 2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one
PubChem CID126491266
Molecular FormulaC19H18FN5O2
Molecular Weight367.38 g/mol
Exact Mass367.14
IUPAC Name2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one
SMILESC/C=C(/c1ncco1)N(Cc1ccccc1F)/N=C/c1ncc(C)c(=O)[nH]1
InChIInChI=1S/C19H18FN5O2/c1-3-16(19-21-8-9-27-19)25(12-14-6-4-5-7-15(14)20)23-11-17-22-10-13(2)18(26)24-17/h3-11H,12H2,1-2H3,(H,22,24,26)/b16-3-,23-11+
InChIKeyITSCBYSNVKXQKK-WOFFMTOKSA-N
XLogP3.10
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-hydroxy-9,9-dimethyl-8-(oxazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidine-2-carboxamide
CID 54684199
N-[(S)-cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
CID 58307458
N-[cyclobutyl-(3-fluorophenyl)methyl]-2,4-dimethyl-1-(1,3-oxazol-2-ylmethyl)-6-oxopyridine-3-carboxamide
CID 76754907
2-[2,7-bis(4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-diazepin-3-yl]-1-[4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 123840052
2-[1-[(4-Fluorophenyl)methyl]-5-methylperoxysulfanyl-7,7a-dihydropyrrolo[2,3-b]pyridin-2-yl]-1,3-oxazole
CID 135698205
N-(1,3-oxazol-2-ylmethyl)-N-[(4-oxo-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-2-yl)methyl]-3-phenylpropanamide
CID 136232701
2-(1,3-oxazol-2-yl)-6-oxo-N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-1H-pyrimidine-4-carboxamide
CID 136982912
N-[2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137102415
N-[1-[4-(fluoromethyl)phenyl]-2,2-dimethylpropyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137126197
N-[(4-fluorophenyl)methyl]-2-[3-hydroxy-9,9-dimethyl-8-(1,3-oxazol-2-ylmethyl)-4-oxo-6,7-dihydropyrazino[1,2-a]pyrimidin-2-yl]acetamide
CID 140117220
N-[(1R)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 140765817
N-[(1S)-2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]propyl]-2-(1,3-oxazol-2-yl)-6-oxo-1H-pyrimidine-4-carboxamide
CID 140765843

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one (CID 126491266) is 2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one is C/C=C(/c1ncco1)N(Cc1ccccc1F)/N=C/c1ncc(C)c(=O)[nH]1.
What is the InChIKey of 2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one?
The InChIKey is ITSCBYSNVKXQKK-WOFFMTOKSA-N. The full InChI is InChI=1S/C19H18FN5O2/c1-3-16(19-21-8-9-27-19)25(12-14-6-4-5-7-15(14)20)23-11-17-22-10-13(2)18(26)24-17/h3-11H,12H2,1-2H3,(H,22,24,26)/b16-3-,23-11+.
What are the key properties of 2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one?
2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one has a molecular weight of 367.38 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2-fluorophenyl)methyl-[(Z)-1-(1,3-oxazol-2-yl)prop-1-enyl]hydrazinylidene]methyl]-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 126491266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).