(2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone

C24H28N2O4 — CID 42157398

IUPAC(2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
SMILESCCCCc1nc2cc(C(=O)N3CCC(Oc4ccccc4OC)CC3)ccc2o1
InChIInChI=1S/C24H28N2O4/c1-3-4-9-23-25-19-16-17(10-11-20(19)30-23)24(27)26-14-12-18(13-15-26)29-22-8-6-5-7-21(22)28-2/h5-8,10-11,16,18H,3-4,9,12-15H2,1-2H3
InChIKeyFTCZLWLNBGQIJM-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.86
Rot. Bonds7

About (2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone

(2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone (PubChem CID 42157398) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is (2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
PubChem CID42157398
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name(2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
SMILESCCCCc1nc2cc(C(=O)N3CCC(Oc4ccccc4OC)CC3)ccc2o1
InChIInChI=1S/C24H28N2O4/c1-3-4-9-23-25-19-16-17(10-11-20(19)30-23)24(27)26-14-12-18(13-15-26)29-22-8-6-5-7-21(22)28-2/h5-8,10-11,16,18H,3-4,9,12-15H2,1-2H3
InChIKeyFTCZLWLNBGQIJM-UHFFFAOYSA-N
XLogP4.86
TPSA64.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2-butyl-1,3-benzoxazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 24794237
2-butyl-1,3-benzoxazole-5-carboxylic acid
CID 2763366
[3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone
CID 45226885
ethyl 2-[(2R)-1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]acetate
CID 25458451
[4-(2-methoxyphenoxy)piperidin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70732957
N-[2-[1-(2-butyl-1,3-benzoxazole-5-carbonyl)piperidin-2-yl]ethyl]acetamide
CID 24817041
5-[4-(2-methoxyphenoxy)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70717882
[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone
CID 42245869
(2-butyl-1,3-benzoxazol-5-yl)-[1'-(trifluoromethyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl]methanone
CID 58551486
(2,4-dimethylquinolin-7-yl)-[3-(2-methoxyphenoxy)azetidin-1-yl]methanone
CID 70774437
2-hydroxy-1-[4-(2-methoxyphenoxy)piperidin-1-yl]ethanone
CID 70754980
[4-(2-methoxyphenoxy)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70758566

Frequently Asked Questions

What is the IUPAC name of (2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone?
The IUPAC name of (2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone (CID 42157398) is (2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone?
The canonical SMILES for (2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone is CCCCc1nc2cc(C(=O)N3CCC(Oc4ccccc4OC)CC3)ccc2o1.
What is the InChIKey of (2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone?
The InChIKey is FTCZLWLNBGQIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-3-4-9-23-25-19-16-17(10-11-20(19)30-23)24(27)26-14-12-18(13-15-26)29-22-8-6-5-7-21(22)28-2/h5-8,10-11,16,18H,3-4,9,12-15H2,1-2H3.
What are the key properties of (2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone?
(2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone has a molecular weight of 408.50 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 42157398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).