2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide

C26H23N5O5 — CID 169091805

IUPAC2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
SMILESCOc1cc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(-c3cnco3)c(OC)c2)ccc1O
InChIInChI=1S/C26H23N5O5/c1-34-23-12-18(8-9-19(23)25-13-27-16-36-25)30(14-17-7-10-22(32)24(11-17)35-2)26(33)15-31-21-6-4-3-5-20(21)28-29-31/h3-13,16,32H,14-15H2,1-2H3
InChIKeyJNHJFRJPHKMYIQ-UHFFFAOYSA-N
MW485.50 g/mol
LogP4.04
Rot. Bonds8

About 2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide

2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide (PubChem CID 169091805) has the molecular formula C26H23N5O5 and a molecular weight of 485.50 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
PubChem CID169091805
Molecular FormulaC26H23N5O5
Molecular Weight485.50 g/mol
Exact Mass485.17
IUPAC Name2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide
SMILESCOc1cc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(-c3cnco3)c(OC)c2)ccc1O
InChIInChI=1S/C26H23N5O5/c1-34-23-12-18(8-9-19(23)25-13-27-16-36-25)30(14-17-7-10-22(32)24(11-17)35-2)26(33)15-31-21-6-4-3-5-20(21)28-29-31/h3-13,16,32H,14-15H2,1-2H3
InChIKeyJNHJFRJPHKMYIQ-UHFFFAOYSA-N
XLogP4.04
TPSA115.74 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.50
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(benzotriazol-1-yl)-N-[(3-fluoro-4-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 171770171
4-(benzotriazol-1-ylmethyl)-2-methoxyphenol
CID 6498136
2-(N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]anilino)acetamide
CID 67046681
2-(benzotriazol-1-yl)-N-[(3-chloro-5-methoxyphenyl)methyl]-N-[4-(1H-imidazol-5-yl)phenyl]acetamide
CID 171770306
2-[4-[[2-(benzotriazol-1-yl)acetyl]-[(3,5-difluorophenyl)methyl]amino]phenyl]acetamide
CID 171770212
2-(benzotriazol-1-yl)-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 51189023
(2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3,4-dimethoxyanilino)-N-cyclohexyl-2-thiophen-2-ylacetamide
CID 1152370
2-(N-[2-(benzotriazol-1-yl)acetyl]-3,4-dimethoxyanilino)-N-cyclohexyl-2-(4-hydroxyphenyl)acetamide
CID 3184682
2-(benzotriazol-1-yl)-N-[1-(4-hydroxy-3-methoxyphenyl)ethylideneamino]acetamide
CID 4259010
2-(benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(2H-triazol-4-yl)phenyl]acetamide
CID 171770253
(2S)-2-[[2-(benzotriazol-1-yl)acetyl]-[(4-methoxyphenyl)methyl]amino]-2-(4-hydroxy-3-methoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 98098440
2-[1,3-benzodioxol-5-ylmethyl-[2-(benzotriazol-1-yl)acetyl]amino]-N-cyclohexyl-2-(3-hydroxy-4-methoxyphenyl)acetamide
CID 3181796

Frequently Asked Questions

What is the IUPAC name of 2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide?
The IUPAC name of 2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide (CID 169091805) is 2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide.
What is the SMILES notation for 2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide?
The canonical SMILES for 2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide is COc1cc(CN(C(=O)Cn2nnc3ccccc32)c2ccc(-c3cnco3)c(OC)c2)ccc1O.
What is the InChIKey of 2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide?
The InChIKey is JNHJFRJPHKMYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O5/c1-34-23-12-18(8-9-19(23)25-13-27-16-36-25)30(14-17-7-10-22(32)24(11-17)35-2)26(33)15-31-21-6-4-3-5-20(21)28-29-31/h3-13,16,32H,14-15H2,1-2H3.
What are the key properties of 2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide?
2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide has a molecular weight of 485.50 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]acetamide is sourced from PubChem (CID 169091805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).