[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone

C24H24N4O4 — CID 56852001

IUPAC[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
SMILESCOc1cccc(OCc2cc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)no2)c1
InChIInChI=1S/C24H24N4O4/c1-30-17-5-4-6-18(13-17)31-15-19-14-22(27-32-19)24(29)28-11-9-16(10-12-28)23-25-20-7-2-3-8-21(20)26-23/h2-8,13-14,16H,9-12,15H2,1H3,(H,25,26)
InChIKeyFBHXHSCKTMFMST-UHFFFAOYSA-N
MW432.48 g/mol
LogP4.16
Rot. Bonds6

About [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone

[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone (PubChem CID 56852001) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
PubChem CID56852001
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
SMILESCOc1cccc(OCc2cc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)no2)c1
InChIInChI=1S/C24H24N4O4/c1-30-17-5-4-6-18(13-17)31-15-19-14-22(27-32-19)24(29)28-11-9-16(10-12-28)23-25-20-7-2-3-8-21(20)26-23/h2-8,13-14,16H,9-12,15H2,1H3,(H,25,26)
InChIKeyFBHXHSCKTMFMST-UHFFFAOYSA-N
XLogP4.16
TPSA93.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(hydroxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42361769
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[6-(3-methoxyphenyl)-3-pyridinyl]methanone
CID 46851997
(4-cyclopentylpiperazin-1-yl)-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 24816881
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 33121432
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 33112285
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]methanone
CID 146791096
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
4-(1H-benzimidazol-2-yl)-N-(3-methoxyphenyl)piperidine-1-carbothioamide
CID 1430350
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061
(4-methoxypiperidin-1-yl)-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 28957767
ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 45185476
4-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-2-(3-methoxyphenyl)-1,3-thiazole
CID 146087786

Frequently Asked Questions

What is the IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The IUPAC name of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone (CID 56852001) is [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The canonical SMILES for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone is COc1cccc(OCc2cc(C(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)no2)c1.
What is the InChIKey of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
The InChIKey is FBHXHSCKTMFMST-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-30-17-5-4-6-18(13-17)31-15-19-14-22(27-32-19)24(29)28-11-9-16(10-12-28)23-25-20-7-2-3-8-21(20)26-23/h2-8,13-14,16H,9-12,15H2,1H3,(H,25,26).
What are the key properties of [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone?
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone has a molecular weight of 432.48 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-benzimidazol-2-yl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 56852001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).