(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine

C13H16F3N3OS — CID 164639406

IUPAC(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC[C@H](NCc1nc(C(F)(F)F)cs1)c1c(C)noc1C
InChIInChI=1S/C13H16F3N3OS/c1-4-9(12-7(2)19-20-8(12)3)17-5-11-18-10(6-21-11)13(14,15)16/h6,9,17H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyOCTXQIJSMFZXLP-VIFPVBQESA-N
MW319.35 g/mol
LogP4.01
Rot. Bonds5

About (1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine

(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (PubChem CID 164639406) has the molecular formula C13H16F3N3OS and a molecular weight of 319.35 g/mol. Its IUPAC name is (1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
PubChem CID164639406
Molecular FormulaC13H16F3N3OS
Molecular Weight319.35 g/mol
Exact Mass319.10
IUPAC Name(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine
SMILESCC[C@H](NCc1nc(C(F)(F)F)cs1)c1c(C)noc1C
InChIInChI=1S/C13H16F3N3OS/c1-4-9(12-7(2)19-20-8(12)3)17-5-11-18-10(6-21-11)13(14,15)16/h6,9,17H,4-5H2,1-3H3/t9-/m0/s1
InChIKeyOCTXQIJSMFZXLP-VIFPVBQESA-N
XLogP4.01
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The IUPAC name of (1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine (CID 164639406) is (1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine.
What is the SMILES notation for (1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The canonical SMILES for (1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is CC[C@H](NCc1nc(C(F)(F)F)cs1)c1c(C)noc1C.
What is the InChIKey of (1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
The InChIKey is OCTXQIJSMFZXLP-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16F3N3OS/c1-4-9(12-7(2)19-20-8(12)3)17-5-11-18-10(6-21-11)13(14,15)16/h6,9,17H,4-5H2,1-3H3/t9-/m0/s1.
What are the key properties of (1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine?
(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine has a molecular weight of 319.35 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 164639406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).