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

C13H17F3N4O — CID 167937001

IUPACN-[(2,3-dimethylimidazol-4-yl)methyl]-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-2-amine
SMILESCc1ncc(CNC(C)(C)c2cc(C(F)(F)F)on2)n1C
InChIInChI=1S/C13H17F3N4O/c1-8-17-6-9(20(8)4)7-18-12(2,3)10-5-11(21-19-10)13(14,15)16/h5-6,18H,7H2,1-4H3
InChIKeyIURLPKKQZWJXFU-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.76
Rot. Bonds4

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

N-[(2,3-dimethylimidazol-4-yl)methyl]-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-2-amine (PubChem CID 167937001) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is N-[(2,3-dimethylimidazol-4-yl)methyl]-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylimidazol-4-yl)methyl]-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-2-amine
PubChem CID167937001
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC NameN-[(2,3-dimethylimidazol-4-yl)methyl]-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-2-amine
SMILESCc1ncc(CNC(C)(C)c2cc(C(F)(F)F)on2)n1C
InChIInChI=1S/C13H17F3N4O/c1-8-17-6-9(20(8)4)7-18-12(2,3)10-5-11(21-19-10)13(14,15)16/h5-6,18H,7H2,1-4H3
InChIKeyIURLPKKQZWJXFU-UHFFFAOYSA-N
XLogP2.76
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-2-amine?
The IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-2-amine (CID 167937001) is N-[(2,3-dimethylimidazol-4-yl)methyl]-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-2-amine.
What is the SMILES notation for N-[(2,3-dimethylimidazol-4-yl)methyl]-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-2-amine?
The canonical SMILES for N-[(2,3-dimethylimidazol-4-yl)methyl]-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-2-amine is Cc1ncc(CNC(C)(C)c2cc(C(F)(F)F)on2)n1C.
What is the InChIKey of N-[(2,3-dimethylimidazol-4-yl)methyl]-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-2-amine?
The InChIKey is IURLPKKQZWJXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c1-8-17-6-9(20(8)4)7-18-12(2,3)10-5-11(21-19-10)13(14,15)16/h5-6,18H,7H2,1-4H3.
What are the key properties of N-[(2,3-dimethylimidazol-4-yl)methyl]-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-2-amine?
N-[(2,3-dimethylimidazol-4-yl)methyl]-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-2-amine has a molecular weight of 302.30 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylimidazol-4-yl)methyl]-2-[5-(trifluoromethyl)-1,2-oxazol-3-yl]propan-2-amine is sourced from PubChem (CID 167937001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).