5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one

C17H18N6O4 — CID 135870809

IUPAC5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one
SMILESCCOC1N=C(Nc2ccc3oc(=O)[nH]c3c2)N/C(=N/Cc2ccco2)N1
InChIInChI=1S/C17H18N6O4/c1-2-25-16-22-14(18-9-11-4-3-7-26-11)21-15(23-16)19-10-5-6-13-12(8-10)20-17(24)27-13/h3-8,16H,2,9H2,1H3,(H,20,24)(H3,18,19,21,22,23)
InChIKeyUEGXVHDQZNRBBQ-UHFFFAOYSA-N
MW370.37 g/mol
LogP1.55
Rot. Bonds5

About 5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one

5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one (PubChem CID 135870809) has the molecular formula C17H18N6O4 and a molecular weight of 370.37 g/mol. Its IUPAC name is 5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one
PubChem CID135870809
Molecular FormulaC17H18N6O4
Molecular Weight370.37 g/mol
Exact Mass370.14
IUPAC Name5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one
SMILESCCOC1N=C(Nc2ccc3oc(=O)[nH]c3c2)N/C(=N/Cc2ccco2)N1
InChIInChI=1S/C17H18N6O4/c1-2-25-16-22-14(18-9-11-4-3-7-26-11)21-15(23-16)19-10-5-6-13-12(8-10)20-17(24)27-13/h3-8,16H,2,9H2,1H3,(H,20,24)(H3,18,19,21,22,23)
InChIKeyUEGXVHDQZNRBBQ-UHFFFAOYSA-N
XLogP1.55
TPSA129.18 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

2-(4-chlorophenyl)-3-(furan-2-yl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 110616262
methyl 3-[[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]methyl]furan-2-carboxylate
CID 43790129
5-(piperidin-4-ylmethylamino)-3H-1,3-benzoxazol-2-one
CID 79707132
6-amino-5-[ethyl(furan-2-ylmethyl)amino]-3H-1,3-benzoxazol-2-one
CID 115425285
(4S)-2-(furan-2-ylmethylimino)-8-methyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one
CID 136718427
5-[(1-amino-2-methylpropan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115131689
5-[(2-anilinopyrimidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
CID 152798051
5-(2,4-dimethylpentan-3-ylamino)-3H-1,3-benzoxazol-2-one
CID 112743200
5-[(4-fluorophenyl)methylamino]-3H-1,3-benzoxazol-2-one
CID 43741452
5-[(4-amino-2-methylbutan-2-yl)amino]-3H-1,3-benzoxazol-2-one
CID 115134489
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375
N-[4-[[5-fluoro-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]-N-propylformamide
CID 87120377

Frequently Asked Questions

What is the IUPAC name of 5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one (CID 135870809) is 5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one is CCOC1N=C(Nc2ccc3oc(=O)[nH]c3c2)N/C(=N/Cc2ccco2)N1.
What is the InChIKey of 5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is UEGXVHDQZNRBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6O4/c1-2-25-16-22-14(18-9-11-4-3-7-26-11)21-15(23-16)19-10-5-6-13-12(8-10)20-17(24)27-13/h3-8,16H,2,9H2,1H3,(H,20,24)(H3,18,19,21,22,23).
What are the key properties of 5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one?
5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 370.37 g/mol, XLogP of 1.55, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-ethoxy-6-(furan-2-ylmethylimino)-2,5-dihydro-1H-1,3,5-triazin-4-yl]amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 135870809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).