3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol

C14H17F3N2O2S — CID 111109932

IUPAC3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCc1oc(-c2ccsc2)nc1CN(CCCO)CC(F)(F)F
InChIInChI=1S/C14H17F3N2O2S/c1-10-12(18-13(21-10)11-3-6-22-8-11)7-19(4-2-5-20)9-14(15,16)17/h3,6,8,20H,2,4-5,7,9H2,1H3
InChIKeyNELTXVIPELGSAG-UHFFFAOYSA-N
MW334.36 g/mol
LogP3.46
Rot. Bonds7

About 3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol

3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 111109932) has the molecular formula C14H17F3N2O2S and a molecular weight of 334.36 g/mol. Its IUPAC name is 3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID111109932
Molecular FormulaC14H17F3N2O2S
Molecular Weight334.36 g/mol
Exact Mass334.10
IUPAC Name3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESCc1oc(-c2ccsc2)nc1CN(CCCO)CC(F)(F)F
InChIInChI=1S/C14H17F3N2O2S/c1-10-12(18-13(21-10)11-3-6-22-8-11)7-19(4-2-5-20)9-14(15,16)17/h3,6,8,20H,2,4-5,7,9H2,1H3
InChIKeyNELTXVIPELGSAG-UHFFFAOYSA-N
XLogP3.46
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 111109932) is 3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol is Cc1oc(-c2ccsc2)nc1CN(CCCO)CC(F)(F)F.
What is the InChIKey of 3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is NELTXVIPELGSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O2S/c1-10-12(18-13(21-10)11-3-6-22-8-11)7-19(4-2-5-20)9-14(15,16)17/h3,6,8,20H,2,4-5,7,9H2,1H3.
What are the key properties of 3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol?
3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 334.36 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-2-thiophen-3-yl-1,3-oxazol-4-yl)methyl-(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 111109932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).