1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

C20H24N2O3S — CID 46798047

IUPAC1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1cccs1)CN1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C20H24N2O3S/c23-16(13-24-14-17-4-3-11-26-17)12-22-9-7-15(8-10-22)20-21-18-5-1-2-6-19(18)25-20/h1-6,11,15-16,23H,7-10,12-14H2
InChIKeyQAZFWSNGUNRMMR-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.65
Rot. Bonds7

About 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol

1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (PubChem CID 46798047) has the molecular formula C20H24N2O3S and a molecular weight of 372.49 g/mol. Its IUPAC name is 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
PubChem CID46798047
Molecular FormulaC20H24N2O3S
Molecular Weight372.49 g/mol
Exact Mass372.15
IUPAC Name1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
SMILESOC(COCc1cccs1)CN1CCC(c2nc3ccccc3o2)CC1
InChIInChI=1S/C20H24N2O3S/c23-16(13-24-14-17-4-3-11-26-17)12-22-9-7-15(8-10-22)20-21-18-5-1-2-6-19(18)25-20/h1-6,11,15-16,23H,7-10,12-14H2
InChIKeyQAZFWSNGUNRMMR-UHFFFAOYSA-N
XLogP3.65
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol with MolForge

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Related Compounds

1-(4-methoxypiperidin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110882492
(2S)-1-(azepan-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2381133
1-(4-cyclopropylpiperazin-1-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110908448
1-[3-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 110913043
(2R)-1-morpholin-4-yl-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 2359827
methyl 4-[3-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-hydroxypropoxy]benzoate
CID 55470076
1-[4-(2-hydroxypropyl)piperazin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 56802833
1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 111107422
4-[4-[2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperazin-1-yl]phenol
CID 110877541
1-[1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidin-4-yl]imidazolidin-2-one
CID 95329642
N-benzyl-1-[(2S)-2-hydroxy-3-(thiophen-2-ylmethoxy)propyl]piperidine-4-carboxamide
CID 32603232
1-[3-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol
CID 75420766

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The IUPAC name of 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol (CID 46798047) is 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol.
What is the SMILES notation for 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The canonical SMILES for 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is OC(COCc1cccs1)CN1CCC(c2nc3ccccc3o2)CC1.
What is the InChIKey of 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
The InChIKey is QAZFWSNGUNRMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3S/c23-16(13-24-14-17-4-3-11-26-17)12-22-9-7-15(8-10-22)20-21-18-5-1-2-6-19(18)25-20/h1-6,11,15-16,23H,7-10,12-14H2.
What are the key properties of 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol?
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol has a molecular weight of 372.49 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-3-(thiophen-2-ylmethoxy)propan-2-ol is sourced from PubChem (CID 46798047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).