6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole

C26H25ClN2O3 — CID 72945974

IUPAC6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole
SMILESClc1ccc(Oc2ccc3nc(-c4ccc(CCCN5CCOCC5)cc4)oc3c2)cc1
InChIInChI=1S/C26H25ClN2O3/c27-21-7-9-22(10-8-21)31-23-11-12-24-25(18-23)32-26(28-24)20-5-3-19(4-6-20)2-1-13-29-14-16-30-17-15-29/h3-12,18H,1-2,13-17H2
InChIKeyTWFVZXYNQPPXIG-UHFFFAOYSA-N
MW448.95 g/mol
LogP6.21
Rot. Bonds7

About 6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole

6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole (PubChem CID 72945974) has the molecular formula C26H25ClN2O3 and a molecular weight of 448.95 g/mol. Its IUPAC name is 6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole.

Molecular Properties

Compound Name6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole
PubChem CID72945974
Molecular FormulaC26H25ClN2O3
Molecular Weight448.95 g/mol
Exact Mass448.16
IUPAC Name6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole
SMILESClc1ccc(Oc2ccc3nc(-c4ccc(CCCN5CCOCC5)cc4)oc3c2)cc1
InChIInChI=1S/C26H25ClN2O3/c27-21-7-9-22(10-8-21)31-23-11-12-24-25(18-23)32-26(28-24)20-5-3-19(4-6-20)2-1-13-29-14-16-30-17-15-29/h3-12,18H,1-2,13-17H2
InChIKeyTWFVZXYNQPPXIG-UHFFFAOYSA-N
XLogP6.21
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.95
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
(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
2-[4-(3-morpholin-4-ylpropoxy)phenyl]-6-[3-(trifluoromethyl)phenoxy]-1,3-benzoxazole
CID 72946732
6-(4-chlorophenoxy)-2-[4-[(1-methylpiperidin-4-yl)methoxy]phenyl]-1,3-benzoxazole
CID 72945019
tert-butyl 4-[3-[4-[6-(4-chlorophenoxy)-1,3-benzoxazol-2-yl]phenyl]propanoyl]piperazine-1-carboxylate
CID 72945972
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
2-[4-[5-(4-chlorophenoxy)-1,3-benzoxazol-2-yl]phenyl]-N,N-diethylethanamine
CID 142715882
4-[3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]propyl]morpholine
CID 170870126
6-chloro-N-(3-morpholin-4-ylpropyl)-1,3-benzoxazol-2-amine
CID 171705164

Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole?
The IUPAC name of 6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole (CID 72945974) is 6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole.
What is the SMILES notation for 6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole?
The canonical SMILES for 6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole is Clc1ccc(Oc2ccc3nc(-c4ccc(CCCN5CCOCC5)cc4)oc3c2)cc1.
What is the InChIKey of 6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole?
The InChIKey is TWFVZXYNQPPXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN2O3/c27-21-7-9-22(10-8-21)31-23-11-12-24-25(18-23)32-26(28-24)20-5-3-19(4-6-20)2-1-13-29-14-16-30-17-15-29/h3-12,18H,1-2,13-17H2.
What are the key properties of 6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole?
6-(4-chlorophenoxy)-2-[4-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole has a molecular weight of 448.95 g/mol, XLogP of 6.21, 7 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-(3-morpholin-4-ylpropyl)phenyl]-1,3-benzoxazole is sourced from PubChem (CID 72945974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).