2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid

C20H16F3N3O5 — CID 44570875

IUPAC2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
SMILESCc1oc(-c2ccccc2OC(F)(F)F)nc1C(=O)N(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C20H16F3N3O5/c1-12-17(19(29)26(11-16(27)28)10-13-6-4-5-9-24-13)25-18(30-12)14-7-2-3-8-15(14)31-20(21,22)23/h2-9H,10-11H2,1H3,(H,27,28)
InChIKeyHCYCPIACZUWPPM-UHFFFAOYSA-N
MW435.36 g/mol
LogP3.67
Rot. Bonds7

About 2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid

2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid (PubChem CID 44570875) has the molecular formula C20H16F3N3O5 and a molecular weight of 435.36 g/mol. Its IUPAC name is 2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
PubChem CID44570875
Molecular FormulaC20H16F3N3O5
Molecular Weight435.36 g/mol
Exact Mass435.10
IUPAC Name2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
SMILESCc1oc(-c2ccccc2OC(F)(F)F)nc1C(=O)N(CC(=O)O)Cc1ccccn1
InChIInChI=1S/C20H16F3N3O5/c1-12-17(19(29)26(11-16(27)28)10-13-6-4-5-9-24-13)25-18(30-12)14-7-2-3-8-15(14)31-20(21,22)23/h2-9H,10-11H2,1H3,(H,27,28)
InChIKeyHCYCPIACZUWPPM-UHFFFAOYSA-N
XLogP3.67
TPSA105.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid with MolForge

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Related Compounds

2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 44570996
2-[[2-(4-bromophenyl)-5-methyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 24802747
2-[[5-(chloromethyl)-2-phenyl-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 68708511
2-[(5-methyl-2-phenyltriazole-4-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
CID 24805230
5-(1,1-difluoropropyl)-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylic acid
CID 70870821
2-[(2-chloro-4-methyl-1,3-thiazole-5-carbonyl)-(pyridin-2-ylmethyl)amino]acetic acid
CID 68715608
2-[2,2-dimethylpropanoyl(pyridin-2-ylmethyl)amino]acetic acid
CID 20627822
[[5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino] acetate
CID 87582312
2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233000
2-[[2-(3-acetyloxyphenyl)-4-methyl-1,3-oxazole-5-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 24805060
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
N-formyl-2-methyl-N-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]methyl]benzamide
CID 143155098

Frequently Asked Questions

What is the IUPAC name of 2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
The IUPAC name of 2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid (CID 44570875) is 2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
The canonical SMILES for 2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid is Cc1oc(-c2ccccc2OC(F)(F)F)nc1C(=O)N(CC(=O)O)Cc1ccccn1.
What is the InChIKey of 2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
The InChIKey is HCYCPIACZUWPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N3O5/c1-12-17(19(29)26(11-16(27)28)10-13-6-4-5-9-24-13)25-18(30-12)14-7-2-3-8-15(14)31-20(21,22)23/h2-9H,10-11H2,1H3,(H,27,28).
What are the key properties of 2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid?
2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid has a molecular weight of 435.36 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-methyl-2-[2-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carbonyl]-(pyridin-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 44570875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).