[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone

C24H28N2O4 — CID 25491297

IUPAC[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone
SMILESCC[C@@H](O)C1CCN(C(=O)c2ccc3nc(Cc4ccc(OC)cc4)oc3c2)CC1
InChIInChI=1S/C24H28N2O4/c1-3-21(27)17-10-12-26(13-11-17)24(28)18-6-9-20-22(15-18)30-23(25-20)14-16-4-7-19(29-2)8-5-16/h4-9,15,17,21,27H,3,10-14H2,1-2H3/t21-/m1/s1
InChIKeyVWIXXZWTSCJZHE-OAQYLSRUSA-N
MW408.50 g/mol
LogP4.05
Rot. Bonds6

About [4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone

[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone (PubChem CID 25491297) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is [4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone.

Molecular Properties

Compound Name[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone
PubChem CID25491297
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone
SMILESCC[C@@H](O)C1CCN(C(=O)c2ccc3nc(Cc4ccc(OC)cc4)oc3c2)CC1
InChIInChI=1S/C24H28N2O4/c1-3-21(27)17-10-12-26(13-11-17)24(28)18-6-9-20-22(15-18)30-23(25-20)14-16-4-7-19(29-2)8-5-16/h4-9,15,17,21,27H,3,10-14H2,1-2H3/t21-/m1/s1
InChIKeyVWIXXZWTSCJZHE-OAQYLSRUSA-N
XLogP4.05
TPSA75.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone with MolForge

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Related Compounds

[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone
CID 42286355
N-cyclopentyl-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 53089603
2-[(4-ethoxyphenyl)methyl]-1,3-benzoxazole-6-carboxylic acid
CID 83970975
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 97270715
2-[(4-methoxyphenyl)methyl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 25478646
N-[(4-methoxyphenyl)methyl]-2-[1-(2-phenyl-1,3-benzoxazole-6-carbonyl)piperidin-4-yl]acetamide
CID 46378839
2-[(4-methoxyphenyl)methyl]-N-(3-methylsulfanylpropyl)-1,3-benzoxazole-6-carboxamide
CID 25302746
2-[(4-methoxyphenyl)methyl]-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 24790227
[2-(2-methoxyethyl)-1,3-benzoxazol-6-yl]-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 72877787
2-[(4-methoxyphenyl)methyl]-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,3-benzoxazole-6-carboxamide
CID 72888275
3-[3-[4-(1-hydroxypropyl)piperidine-1-carbonyl]phenyl]chromen-2-one
CID 171385946
(2S)-N-[(4-methoxyphenyl)methyl]-2-[1-[2-(4-methylphenyl)-1,3-benzoxazole-5-carbonyl]piperidin-4-yl]propanamide
CID 95083829

Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone?
The IUPAC name of [4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone (CID 25491297) is [4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone.
What is the SMILES notation for [4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone?
The canonical SMILES for [4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone is CC[C@@H](O)C1CCN(C(=O)c2ccc3nc(Cc4ccc(OC)cc4)oc3c2)CC1.
What is the InChIKey of [4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone?
The InChIKey is VWIXXZWTSCJZHE-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-3-21(27)17-10-12-26(13-11-17)24(28)18-6-9-20-22(15-18)30-23(25-20)14-16-4-7-19(29-2)8-5-16/h4-9,15,17,21,27H,3,10-14H2,1-2H3/t21-/m1/s1.
What are the key properties of [4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone?
[4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone has a molecular weight of 408.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1-hydroxypropyl]piperidin-1-yl]-[2-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-6-yl]methanone is sourced from PubChem (CID 25491297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).