6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole

C26H25ClN2O3 — CID 72945019

IUPAC6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole
SMILESCN1CCC(COc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)CC1
InChIInChI=1S/C26H25ClN2O3/c1-29-14-12-18(13-15-29)17-30-21-6-2-19(3-7-21)26-28-24-11-10-23(16-25(24)32-26)31-22-8-4-20(27)5-9-22/h2-11,16,18H,12-15,17H2,1H3
InChIKeyQJZRCQVWDDCQBM-UHFFFAOYSA-N
MW448.95 g/mol
LogP6.66
Rot. Bonds6

About 6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole

6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole (PubChem CID 72945019) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole
PubChem CID72945019
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC Name6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole
SMILESCN1CCC(COc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)CC1
InChIInChI=1S/C26H25ClN2O3/c1-29-14-12-18(13-15-29)17-30-21-6-2-19(3-7-21)26-28-24-11-10-23(16-25(24)32-26)31-22-8-4-20(27)5-9-22/h2-11,16,18H,12-15,17H2,1H3
InChIKeyQJZRCQVWDDCQBM-UHFFFAOYSA-N
XLogP6.66
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 56.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole with MolForge

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Related Compounds

(3S)-1-[3-[4-[6-(4-chlorophenoxy)-1,3-benzoxazol-2-yl]phenoxy]propyl]pyrrolidin-3-amine
CID 72946936
6-(4-chlorophenoxy)-2-[4-(3-chloropropoxy)phenyl]-1,3-benzoxazole
CID 142715895
6-(4-chlorophenoxy)-2-(4-piperidin-4-yloxyphenyl)-1,3-benzoxazole
CID 122182660
3-[4-[6-(4-chlorophenoxy)-1,3-benzoxazol-2-yl]phenoxy]-N,N-diethylpropan-1-amine
CID 72946731
6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole
CID 72945974
6-(4-chlorophenoxy)-2-[4-(2-methoxyethyl)phenyl]-1,3-benzoxazole
CID 72945603
2-[4-(2-azidoethyl)phenyl]-6-(4-chlorophenoxy)-1,3-benzoxazole
CID 142715897
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
tert-butyl 4-[3-[4-[6-(4-chlorophenoxy)-1,3-benzoxazol-2-yl]phenyl]propanoyl]piperazine-1-carboxylate
CID 72945972
methyl (E)-3-[4-[6-(4-chlorophenoxy)-1,3-benzoxazol-2-yl]phenyl]prop-2-enoate
CID 142715971
1-[3-[4-[6-[3-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]propoxy]-1,3-benzoxazol-2-yl]phenoxy]propyl]-N,N-dimethylpyrrolidin-3-amine
CID 70897183
2-(4-chlorophenyl)-6-methyl-1,3-benzoxazole
CID 4154393

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole?
The IUPAC name of 6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole (CID 72945019) is 6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole.
What is the SMILES notation for 6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole?
The canonical SMILES for 6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole is CN1CCC(COc2ccc(-c3nc4ccc(Oc5ccc(Cl)cc5)cc4o3)cc2)CC1.
What is the InChIKey of 6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole?
The InChIKey is QJZRCQVWDDCQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c1-29-14-12-18(13-15-29)17-30-21-6-2-19(3-7-21)26-28-24-11-10-23(16-25(24)32-26)31-22-8-4-20(27)5-9-22/h2-11,16,18H,12-15,17H2,1H3.
What are the key properties of 6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole?
6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole has a molecular weight of 448.95 g/mol, XLogP of 6.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole is sourced from PubChem (CID 72945019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).