[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol

C17H22F3N3O2S — CID 143770951

IUPAC[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol
SMILESCc1c(-c2ccc(C(O)N3CCC[C@H](N(C)C)C3)s2)noc1C(F)(F)F
InChIInChI=1S/C17H22F3N3O2S/c1-10-14(21-25-15(10)17(18,19)20)12-6-7-13(26-12)16(24)23-8-4-5-11(9-23)22(2)3/h6-7,11,16,24H,4-5,8-9H2,1-3H3/t11-,16?/m0/s1
InChIKeyDKDMSPSAVLHTIU-CHPOKUKFSA-N
MW389.44 g/mol
LogP3.75
Rot. Bonds4

About [(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol

[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol (PubChem CID 143770951) has the molecular formula C17H22F3N3O2S and a molecular weight of 389.44 g/mol. Its IUPAC name is [(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol
PubChem CID143770951
Molecular FormulaC17H22F3N3O2S
Molecular Weight389.44 g/mol
Exact Mass389.14
IUPAC Name[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol
SMILESCc1c(-c2ccc(C(O)N3CCC[C@H](N(C)C)C3)s2)noc1C(F)(F)F
InChIInChI=1S/C17H22F3N3O2S/c1-10-14(21-25-15(10)17(18,19)20)12-6-7-13(26-12)16(24)23-8-4-5-11(9-23)22(2)3/h6-7,11,16,24H,4-5,8-9H2,1-3H3/t11-,16?/m0/s1
InChIKeyDKDMSPSAVLHTIU-CHPOKUKFSA-N
XLogP3.75
TPSA52.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol?
The IUPAC name of [(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol (CID 143770951) is [(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol.
What is the SMILES notation for [(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol?
The canonical SMILES for [(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol is Cc1c(-c2ccc(C(O)N3CCC[C@H](N(C)C)C3)s2)noc1C(F)(F)F.
What is the InChIKey of [(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol?
The InChIKey is DKDMSPSAVLHTIU-CHPOKUKFSA-N. The full InChI is InChI=1S/C17H22F3N3O2S/c1-10-14(21-25-15(10)17(18,19)20)12-6-7-13(26-12)16(24)23-8-4-5-11(9-23)22(2)3/h6-7,11,16,24H,4-5,8-9H2,1-3H3/t11-,16?/m0/s1.
What are the key properties of [(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol?
[(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol has a molecular weight of 389.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(dimethylamino)piperidin-1-yl]-[5-[4-methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 143770951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).