[7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol

C23H24N4O3 — CID 167274457

IUPAC[7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol
SMILESCOc1cc(CO)cc2nc(-c3cccc(C4(c5nncn5C)CC(C)C4)c3)oc12
InChIInChI=1S/C23H24N4O3/c1-14-10-23(11-14,22-26-24-13-27(22)2)17-6-4-5-16(9-17)21-25-18-7-15(12-28)8-19(29-3)20(18)30-21/h4-9,13-14,28H,10-12H2,1-3H3
InChIKeyAMXSKPHLIAJGSV-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.84
Rot. Bonds5

About [7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol

[7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol (PubChem CID 167274457) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is [7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol.

Molecular Properties

Compound Name[7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol
PubChem CID167274457
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name[7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol
SMILESCOc1cc(CO)cc2nc(-c3cccc(C4(c5nncn5C)CC(C)C4)c3)oc12
InChIInChI=1S/C23H24N4O3/c1-14-10-23(11-14,22-26-24-13-27(22)2)17-6-4-5-16(9-17)21-25-18-7-15(12-28)8-19(29-3)20(18)30-21/h4-9,13-14,28H,10-12H2,1-3H3
InChIKeyAMXSKPHLIAJGSV-UHFFFAOYSA-N
XLogP3.84
TPSA86.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 166557272
CID 166557272
[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-methoxy-1,3-benzoxazol-5-yl]methanol
CID 166557430
2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 175924180
N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-methoxy-1,3-benzoxazol-5-yl]methyl]-1-(oxetan-3-yl)methanamine
CID 166556845
(4R,6S)-4-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-methoxy-1,3-benzoxazol-5-yl]methylamino]spiro[2.3]hexan-6-ol
CID 166557221
(1S)-1-cyclobutyl-N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-methoxy-1,3-benzoxazol-5-yl]methyl]ethanamine
CID 166557478
N-[[2-[3-[4-fluoro-2-(4-methyl-1,2,4-triazol-3-yl)phenyl]phenyl]-7-methoxy-1,3-benzoxazol-5-yl]methyl]-2-methoxycyclopentan-1-amine
CID 176752796
3-[1-(3-iodophenyl)-3-methoxycyclobutyl]-4-methyl-1,2,4-triazole
CID 176972823
3-(3-aminophenyl)-3-(4-methyl-1,2,4-triazol-3-yl)cyclobutan-1-ol
CID 167186273
8-methyl-6-[(7-methyl-4,7-diazaspiro[2.5]octan-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]chromen-4-one
CID 170270202
1-[(1-methylimidazol-4-yl)methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-5-(trifluoromethyl)pyridin-2-one
CID 177382157
7-[[[1-(methoxymethyl)cyclopropyl]amino]methyl]-3-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 172610135

Frequently Asked Questions

What is the IUPAC name of [7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol?
The IUPAC name of [7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol (CID 167274457) is [7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol.
What is the SMILES notation for [7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol?
The canonical SMILES for [7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol is COc1cc(CO)cc2nc(-c3cccc(C4(c5nncn5C)CC(C)C4)c3)oc12.
What is the InChIKey of [7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol?
The InChIKey is AMXSKPHLIAJGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-14-10-23(11-14,22-26-24-13-27(22)2)17-6-4-5-16(9-17)21-25-18-7-15(12-28)8-19(29-3)20(18)30-21/h4-9,13-14,28H,10-12H2,1-3H3.
What are the key properties of [7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol?
[7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol has a molecular weight of 404.47 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [7-methoxy-2-[3-[3-methyl-1-(4-methyl-1,2,4-triazol-3-yl)cyclobutyl]phenyl]-1,3-benzoxazol-5-yl]methanol is sourced from PubChem (CID 167274457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).