N'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

C14H20F3N5O — CID 167809405

IUPACN'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCc1c(-c2cc(CN(CCCN)CC(F)(F)F)on2)cnn1C
InChIInChI=1S/C14H20F3N5O/c1-10-12(7-19-21(10)2)13-6-11(23-20-13)8-22(5-3-4-18)9-14(15,16)17/h6-7H,3-5,8-9,18H2,1-2H3
InChIKeyHOMKYBABDVCGLN-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.10
Rot. Bonds7

About N'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine

N'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (PubChem CID 167809405) has the molecular formula C14H20F3N5O and a molecular weight of 331.34 g/mol. Its IUPAC name is N'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
PubChem CID167809405
Molecular FormulaC14H20F3N5O
Molecular Weight331.34 g/mol
Exact Mass331.16
IUPAC NameN'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
SMILESCc1c(-c2cc(CN(CCCN)CC(F)(F)F)on2)cnn1C
InChIInChI=1S/C14H20F3N5O/c1-10-12(7-19-21(10)2)13-6-11(23-20-13)8-22(5-3-4-18)9-14(15,16)17/h6-7H,3-5,8-9,18H2,1-2H3
InChIKeyHOMKYBABDVCGLN-UHFFFAOYSA-N
XLogP2.10
TPSA73.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The IUPAC name of N'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine (CID 167809405) is N'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine.
What is the SMILES notation for N'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The canonical SMILES for N'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is Cc1c(-c2cc(CN(CCCN)CC(F)(F)F)on2)cnn1C.
What is the InChIKey of N'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
The InChIKey is HOMKYBABDVCGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N5O/c1-10-12(7-19-21(10)2)13-6-11(23-20-13)8-22(5-3-4-18)9-14(15,16)17/h6-7H,3-5,8-9,18H2,1-2H3.
What are the key properties of N'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine?
N'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine has a molecular weight of 331.34 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methyl]-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine is sourced from PubChem (CID 167809405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).