N-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide

C15H16BrN3O4 — CID 6024173

IUPACN-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide
SMILESCCOc1ccc(Br)c(/C=N\NC(=O)c2ncc(OCC)o2)c1
InChIInChI=1S/C15H16BrN3O4/c1-3-21-11-5-6-12(16)10(7-11)8-18-19-14(20)15-17-9-13(23-15)22-4-2/h5-9H,3-4H2,1-2H3,(H,19,20)/b18-8-
InChIKeyQWQOIHFJQKPGHV-LSCVHKIXSA-N
MW382.21 g/mol
LogP3.00
Rot. Bonds7

About N-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide

N-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide (PubChem CID 6024173) has the molecular formula C15H16BrN3O4 and a molecular weight of 382.21 g/mol. Its IUPAC name is N-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide
PubChem CID6024173
Molecular FormulaC15H16BrN3O4
Molecular Weight382.21 g/mol
Exact Mass381.03
IUPAC NameN-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide
SMILESCCOc1ccc(Br)c(/C=N\NC(=O)c2ncc(OCC)o2)c1
InChIInChI=1S/C15H16BrN3O4/c1-3-21-11-5-6-12(16)10(7-11)8-18-19-14(20)15-17-9-13(23-15)22-4-2/h5-9H,3-4H2,1-2H3,(H,19,20)/b18-8-
InChIKeyQWQOIHFJQKPGHV-LSCVHKIXSA-N
XLogP3.00
TPSA85.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 53.00
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

5-ethoxy-N-(pyridin-4-ylmethylideneamino)-1,3-oxazole-2-carboxamide
CID 4622660
5-ethoxy-N-[(4-oxochromen-3-yl)methylideneamino]-1,3-oxazole-2-carboxamide
CID 3269329
2-N,5-N-bis[(2-bromo-5-methoxyphenyl)methylideneamino]furan-2,5-dicarboxamide
CID 4583740
N-[(E)-(2-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 137131342
2-bromo-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 29146958
4-bromo-N-[(Z)-(4-ethoxy-2-hydroxyphenyl)methylideneamino]benzamide
CID 135504175
N-[(2-bromo-5-methoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 1369435
ethyl 2-[5-bromo-2-ethoxy-4-[(E)-[(5-ethoxy-1-benzofuran-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
CID 126341664
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
5-chloro-N-[(E)-(5-ethoxy-2-hydroxyphenyl)methylideneamino]-1-benzofuran-2-carboxamide
CID 137047420
1,3-bis[(E)-(2-bromo-5-methoxyphenyl)methylideneamino]urea
CID 5334969
N-[(2-bromo-5-prop-2-ynoxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 4071784

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide?
The IUPAC name of N-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide (CID 6024173) is N-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide.
What is the SMILES notation for N-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide?
The canonical SMILES for N-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide is CCOc1ccc(Br)c(/C=N\NC(=O)c2ncc(OCC)o2)c1.
What is the InChIKey of N-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide?
The InChIKey is QWQOIHFJQKPGHV-LSCVHKIXSA-N. The full InChI is InChI=1S/C15H16BrN3O4/c1-3-21-11-5-6-12(16)10(7-11)8-18-19-14(20)15-17-9-13(23-15)22-4-2/h5-9H,3-4H2,1-2H3,(H,19,20)/b18-8-.
What are the key properties of N-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide?
N-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide has a molecular weight of 382.21 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-bromo-5-ethoxyphenyl)methylideneamino]-5-ethoxy-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 6024173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).