4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine

C19H16F3N3O2 — CID 134806341

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESCc1noc(C)c1-c1cnc(Nc2cccc(C(F)(F)F)c2)c2c1CCO2
InChIInChI=1S/C19H16F3N3O2/c1-10-16(11(2)27-25-10)15-9-23-18(17-14(15)6-7-26-17)24-13-5-3-4-12(8-13)19(20,21)22/h3-5,8-9H,6-7H2,1-2H3,(H,23,24)
InChIKeyIQSAIAORCBVKFD-UHFFFAOYSA-N
MW375.35 g/mol
LogP5.05
Rot. Bonds3

About 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine (PubChem CID 134806341) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine
PubChem CID134806341
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESCc1noc(C)c1-c1cnc(Nc2cccc(C(F)(F)F)c2)c2c1CCO2
InChIInChI=1S/C19H16F3N3O2/c1-10-16(11(2)27-25-10)15-9-23-18(17-14(15)6-7-26-17)24-13-5-3-4-12(8-13)19(20,21)22/h3-5,8-9H,6-7H2,1-2H3,(H,23,24)
InChIKeyIQSAIAORCBVKFD-UHFFFAOYSA-N
XLogP5.05
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.35
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine (CID 134806341) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine is Cc1noc(C)c1-c1cnc(Nc2cccc(C(F)(F)F)c2)c2c1CCO2.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The InChIKey is IQSAIAORCBVKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c1-10-16(11(2)27-25-10)15-9-23-18(17-14(15)6-7-26-17)24-13-5-3-4-12(8-13)19(20,21)22/h3-5,8-9H,6-7H2,1-2H3,(H,23,24).
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine has a molecular weight of 375.35 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-(trifluoromethyl)phenyl]-2,3-dihydrofuro[2,3-c]pyridin-7-amine is sourced from PubChem (CID 134806341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).