N-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide

C28H29N3O5 — CID 10184732

IUPACN-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide
SMILESO=C(Nc1ccccc1OCC(O)CN1CCC(n2c(=O)oc3ccccc32)CC1)c1ccccc1
InChIInChI=1S/C28H29N3O5/c32-22(19-35-25-12-6-4-10-23(25)29-27(33)20-8-2-1-3-9-20)18-30-16-14-21(15-17-30)31-24-11-5-7-13-26(24)36-28(31)34/h1-13,21-22,32H,14-19H2,(H,29,33)
InChIKeyLKGKGJABZJBVIX-UHFFFAOYSA-N
MW487.56 g/mol
LogP3.92
Rot. Bonds8

About N-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide

N-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide (PubChem CID 10184732) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide
PubChem CID10184732
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC NameN-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide
SMILESO=C(Nc1ccccc1OCC(O)CN1CCC(n2c(=O)oc3ccccc32)CC1)c1ccccc1
InChIInChI=1S/C28H29N3O5/c32-22(19-35-25-12-6-4-10-23(25)29-27(33)20-8-2-1-3-9-20)18-30-16-14-21(15-17-30)31-24-11-5-7-13-26(24)36-28(31)34/h1-13,21-22,32H,14-19H2,(H,29,33)
InChIKeyLKGKGJABZJBVIX-UHFFFAOYSA-N
XLogP3.92
TPSA96.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-1,3-benzoxazol-2-one
CID 141058042
2-[3-(4-benzylpiperidin-1-yl)-2-hydroxypropoxy]-N-(2-fluorophenyl)benzamide
CID 72704958
N-[2-[3-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-hydroxypropoxy]phenyl]benzamide
CID 10184291
N-[2-[3-[[(3S)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-hydroxypropoxy]phenyl]benzamide
CID 10206038
N-[2-[3-[4-(4-chlorophenoxy)piperidin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 10159022
3-[2-oxo-2-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]ethyl]benzoic acid
CID 175101505
N-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]-1H-pyrrole-2-carboxamide
CID 10161421
N-[2-[3-[[2-[(4-chlorophenyl)methyl]pyrrolidin-1-yl]amino]-2-hydroxypropoxy]phenyl]benzamide
CID 70039749
N-[2-[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]acetamide
CID 97243371
N-[2-[2-hydroxy-3-[4-(2-methylphenyl)piperazin-1-yl]propoxy]phenyl]acetamide
CID 57259350
N-[2-[3-[4-(2-chlorophenyl)piperazin-1-yl]-2-hydroxypropoxy]phenyl]acetamide
CID 3795191
N-[2-[2-[2-[3-[3-(4-chlorophenoxy)pyrrolidin-1-yl]-2-hydroxypropoxy]phenyl]hydrazinyl]-2-oxoethyl]benzamide
CID 174448780

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide?
The IUPAC name of N-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide (CID 10184732) is N-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide.
What is the SMILES notation for N-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide?
The canonical SMILES for N-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide is O=C(Nc1ccccc1OCC(O)CN1CCC(n2c(=O)oc3ccccc32)CC1)c1ccccc1.
What is the InChIKey of N-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide?
The InChIKey is LKGKGJABZJBVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c32-22(19-35-25-12-6-4-10-23(25)29-27(33)20-8-2-1-3-9-20)18-30-16-14-21(15-17-30)31-24-11-5-7-13-26(24)36-28(31)34/h1-13,21-22,32H,14-19H2,(H,29,33).
What are the key properties of N-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide?
N-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide has a molecular weight of 487.56 g/mol, XLogP of 3.92, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-hydroxy-3-[4-(2-oxo-1,3-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]benzamide is sourced from PubChem (CID 10184732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).