2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide

C14H14F3N3O2 — CID 3801520

IUPAC2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NCc2ccc(C(F)(F)F)cc2)co1
InChIInChI=1S/C14H14F3N3O2/c1-8(18)13-20-11(7-22-13)12(21)19-6-9-2-4-10(5-3-9)14(15,16)17/h2-5,7-8H,6,18H2,1H3,(H,19,21)
InChIKeyNZIAVRDETTWMDW-UHFFFAOYSA-N
MW313.28 g/mol
LogP2.64
Rot. Bonds4

About 2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide

2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3801520) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
PubChem CID3801520
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Name2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NCc2ccc(C(F)(F)F)cc2)co1
InChIInChI=1S/C14H14F3N3O2/c1-8(18)13-20-11(7-22-13)12(21)19-6-9-2-4-10(5-3-9)14(15,16)17/h2-5,7-8H,6,18H2,1H3,(H,19,21)
InChIKeyNZIAVRDETTWMDW-UHFFFAOYSA-N
XLogP2.64
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2-hydroxypropyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3780465
2-(2-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3424319
2-(1-amino-2-methylpropyl)-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3788399
2-(1-amino-2-methylbutyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3809377
2-(1-aminopropyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3292420
2-(1-amino-2-methylpropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3841739
2-(1-amino-2-hydroxyethyl)-N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3789915
2-(1-aminopropyl)-N-[(4-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3840730
2-(1-amino-2-methylbutyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide
CID 3271164
2-(1-aminoethyl)-N-(2,2-diphenylethyl)-1,3-oxazole-4-carboxamide
CID 3672043
2-(1-aminopentyl)-N-[(4-aminophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3796337
2-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-[(4-fluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 42834971

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide (CID 3801520) is 2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is CC(N)c1nc(C(=O)NCc2ccc(C(F)(F)F)cc2)co1.
What is the InChIKey of 2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NZIAVRDETTWMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-8(18)13-20-11(7-22-13)12(21)19-6-9-2-4-10(5-3-9)14(15,16)17/h2-5,7-8H,6,18H2,1H3,(H,19,21).
What are the key properties of 2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide?
2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 313.28 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3801520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).