[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone

C25H30N2O3 — CID 42245869

IUPAC[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone
SMILESO=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCC[C@@H](CCCO)C1
InChIInChI=1S/C25H30N2O3/c28-16-6-11-20-10-5-15-27(18-20)25(29)21-13-14-23-22(17-21)26-24(30-23)12-4-9-19-7-2-1-3-8-19/h1-3,7-8,13-14,17,20,28H,4-6,9-12,15-16,18H2/t20-/m0/s1
InChIKeySVVNKEFPABQNAE-FQEVSTJZSA-N
MW406.53 g/mol
LogP4.63
Rot. Bonds8

About [(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone

[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone (PubChem CID 42245869) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is [(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone
PubChem CID42245869
Molecular FormulaC25H30N2O3
Molecular Weight406.53 g/mol
Exact Mass406.23
IUPAC Name[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone
SMILESO=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCC[C@@H](CCCO)C1
InChIInChI=1S/C25H30N2O3/c28-16-6-11-20-10-5-15-27(18-20)25(29)21-13-14-23-22(17-21)26-24(30-23)12-4-9-19-7-2-1-3-8-19/h1-3,7-8,13-14,17,20,28H,4-6,9-12,15-16,18H2/t20-/m0/s1
InChIKeySVVNKEFPABQNAE-FQEVSTJZSA-N
XLogP4.63
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone with MolForge

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Related Compounds

[(2S)-2-(hydroxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone
CID 25380800
[3-(methoxymethyl)pyrrolidin-1-yl]-[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]methanone
CID 45226885
[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]-(2-pyridin-3-ylpiperidin-1-yl)methanone
CID 45208890
N-[3-(3-hydroxypiperidin-1-yl)propyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 45229950
(2-butyl-1,3-benzoxazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 24794237
(2-benzyl-1,3-benzoxazol-5-yl)-(4-methyl-3-phenylpiperazin-1-yl)methanone
CID 45224420
(2-butyl-1,3-benzoxazol-5-yl)-[4-(2-methoxyphenoxy)piperidin-1-yl]methanone
CID 42157398
[2-(2-phenylethyl)-1,3-benzoxazol-5-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
CID 42096651
[(3S)-3-(2-phenylethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 26392215
(1-methylimidazol-4-yl)-[(3R)-3-(3-phenylpropyl)piperidin-1-yl]methanone
CID 124614457
N-methyl-2-(2-phenylethyl)-N-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]-1,3-benzoxazole-5-carboxamide
CID 25459084
N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 26392046

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone?
The IUPAC name of [(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone (CID 42245869) is [(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone.
What is the SMILES notation for [(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone?
The canonical SMILES for [(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone is O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCC[C@@H](CCCO)C1.
What is the InChIKey of [(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone?
The InChIKey is SVVNKEFPABQNAE-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H30N2O3/c28-16-6-11-20-10-5-15-27(18-20)25(29)21-13-14-23-22(17-21)26-24(30-23)12-4-9-19-7-2-1-3-8-19/h1-3,7-8,13-14,17,20,28H,4-6,9-12,15-16,18H2/t20-/m0/s1.
What are the key properties of [(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone?
[(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone has a molecular weight of 406.53 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(3-hydroxypropyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone is sourced from PubChem (CID 42245869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).