N-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide

C19H19FN4O3 — CID 9146150

IUPACN-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide
SMILESCc1cc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(F)c3)c2C)no1
InChIInChI=1S/C19H19FN4O3/c1-12-7-15(14(3)24(12)18-8-13(2)27-23-18)10-21-22-19(25)11-26-17-6-4-5-16(20)9-17/h4-10H,11H2,1-3H3,(H,22,25)/b21-10-
InChIKeyDTOPLRSJYMYHGH-FBHDLOMBSA-N
MW370.38 g/mol
LogP3.06
Rot. Bonds6

About N-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide

N-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide (PubChem CID 9146150) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is N-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide
PubChem CID9146150
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC NameN-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide
SMILESCc1cc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(F)c3)c2C)no1
InChIInChI=1S/C19H19FN4O3/c1-12-7-15(14(3)24(12)18-8-13(2)27-23-18)10-21-22-19(25)11-26-17-6-4-5-16(20)9-17/h4-10H,11H2,1-3H3,(H,22,25)/b21-10-
InChIKeyDTOPLRSJYMYHGH-FBHDLOMBSA-N
XLogP3.06
TPSA81.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.06
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

2-(3-fluorophenoxy)-N-[(Z)-(1,3,5-trimethylpyrazol-4-yl)methylideneamino]acetamide
CID 9240663
N-[(E)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-3-methoxy-4-(3-methylbutoxy)benzamide
CID 55364065
methyl 4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9242023
2-(4-fluorophenyl)-N-[(Z)-[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 126245670
4-bromo-N-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-1H-pyrrole-2-carboxamide
CID 8983346
4-[(Z)-[[2-(3-fluorophenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 9241516
2-(4-cyanophenoxy)-N-[(Z)-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]methylideneamino]acetamide
CID 9217756
2-(3-fluorophenoxy)-N-[(Z)-thiophen-3-ylmethylideneamino]acetamide
CID 9241892
2-(3-fluorophenoxy)-N-[(Z)-quinoxalin-2-ylmethylideneamino]acetamide
CID 9217295
2-(3-fluorophenoxy)-N-[(E)-(2-hydroxy-5-nitrophenyl)methylideneamino]acetamide
CID 135557639
N-[(Z)-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 92850817
N-[(E)-[2,5-dimethyl-1-(5-methyl-2-pyridinyl)pyrrol-3-yl]methylideneamino]-2-(4-fluorophenyl)acetamide
CID 126256927

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide (CID 9146150) is N-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide is Cc1cc(-n2c(C)cc(/C=N\NC(=O)COc3cccc(F)c3)c2C)no1.
What is the InChIKey of N-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide?
The InChIKey is DTOPLRSJYMYHGH-FBHDLOMBSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-12-7-15(14(3)24(12)18-8-13(2)27-23-18)10-21-22-19(25)11-26-17-6-4-5-16(20)9-17/h4-10H,11H2,1-3H3,(H,22,25)/b21-10-.
What are the key properties of N-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide?
N-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide has a molecular weight of 370.38 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]methylideneamino]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 9146150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).