6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one

C24H21N5O4 — CID 58039906

IUPAC6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(Cc3nc(Cc4ccc(O)cc4)nc(NCc4ccco4)n3)ccc21
InChIInChI=1S/C24H21N5O4/c1-29-19-9-6-16(11-20(19)33-24(29)31)13-22-26-21(12-15-4-7-17(30)8-5-15)27-23(28-22)25-14-18-3-2-10-32-18/h2-11,30H,12-14H2,1H3,(H,25,26,27,28)
InChIKeyAYVDYLBQXDWFSO-UHFFFAOYSA-N
MW443.46 g/mol
LogP3.41
Rot. Bonds7

About 6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one

6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one (PubChem CID 58039906) has the molecular formula C24H21N5O4 and a molecular weight of 443.46 g/mol. Its IUPAC name is 6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one
PubChem CID58039906
Molecular FormulaC24H21N5O4
Molecular Weight443.46 g/mol
Exact Mass443.16
IUPAC Name6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one
SMILESCn1c(=O)oc2cc(Cc3nc(Cc4ccc(O)cc4)nc(NCc4ccco4)n3)ccc21
InChIInChI=1S/C24H21N5O4/c1-29-19-9-6-16(11-20(19)33-24(29)31)13-22-26-21(12-15-4-7-17(30)8-5-15)27-23(28-22)25-14-18-3-2-10-32-18/h2-11,30H,12-14H2,1H3,(H,25,26,27,28)
InChIKeyAYVDYLBQXDWFSO-UHFFFAOYSA-N
XLogP3.41
TPSA119.21 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one with MolForge

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Related Compounds

4-[[4-(4-bromoanilino)-6-(furan-2-ylmethylamino)-1,3,5-triazin-2-yl]methyl]phenol
CID 58039781
3-methyl-6-[[4-(methylamino)phenyl]methyl]-1,3-benzoxazol-2-one
CID 116926141
4-[(dimethylamino)methyl]-N-(furan-2-ylmethyl)-6-[[3-(trifluoromethyl)phenyl]methyl]-1,3,5-triazin-2-amine
CID 58039788
4-(furan-2-ylmethyl)phenol
CID 11367276
6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932265
3,3-dimethyl-N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]butanamide
CID 110786656
N-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methyl]-2-oxopropanamide
CID 115175681
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]-2-oxoacetic acid
CID 115141348
N-[[3-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-1,2,4-oxadiazol-5-yl]methyl]furan-2-carboxamide
CID 53139190
4-(furan-2-ylmethylamino)-6-(4-hydroxyanilino)-1H-1,3,5-triazin-2-one
CID 135870752
2-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetohydrazide
CID 116843407
3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)methylamino]-3-oxopropanoic acid
CID 115163423

Frequently Asked Questions

What is the IUPAC name of 6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one?
The IUPAC name of 6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one (CID 58039906) is 6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one is Cn1c(=O)oc2cc(Cc3nc(Cc4ccc(O)cc4)nc(NCc4ccco4)n3)ccc21.
What is the InChIKey of 6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one?
The InChIKey is AYVDYLBQXDWFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O4/c1-29-19-9-6-16(11-20(19)33-24(29)31)13-22-26-21(12-15-4-7-17(30)8-5-15)27-23(28-22)25-14-18-3-2-10-32-18/h2-11,30H,12-14H2,1H3,(H,25,26,27,28).
What are the key properties of 6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one?
6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one has a molecular weight of 443.46 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(furan-2-ylmethylamino)-6-[(4-hydroxyphenyl)methyl]-1,3,5-triazin-2-yl]methyl]-3-methyl-1,3-benzoxazol-2-one is sourced from PubChem (CID 58039906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).