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

C22H23FN4O3 — CID 134806013

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESCc1noc(C)c1-c1cnc(Nc2cc(F)cc(N3CCOCC3)c2)c2c1CCO2
InChIInChI=1S/C22H23FN4O3/c1-13-20(14(2)30-26-13)19-12-24-22(21-18(19)3-6-29-21)25-16-9-15(23)10-17(11-16)27-4-7-28-8-5-27/h9-12H,3-8H2,1-2H3,(H,24,25)
InChIKeyHNTOQSOQSOOLIW-UHFFFAOYSA-N
MW410.45 g/mol
LogP4.01
Rot. Bonds4

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

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine (PubChem CID 134806013) has the molecular formula C22H23FN4O3 and a molecular weight of 410.45 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
PubChem CID134806013
Molecular FormulaC22H23FN4O3
Molecular Weight410.45 g/mol
Exact Mass410.18
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESCc1noc(C)c1-c1cnc(Nc2cc(F)cc(N3CCOCC3)c2)c2c1CCO2
InChIInChI=1S/C22H23FN4O3/c1-13-20(14(2)30-26-13)19-12-24-22(21-18(19)3-6-29-21)25-16-9-15(23)10-17(11-16)27-4-7-28-8-5-27/h9-12H,3-8H2,1-2H3,(H,24,25)
InChIKeyHNTOQSOQSOOLIW-UHFFFAOYSA-N
XLogP4.01
TPSA72.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine (CID 134806013) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-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-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine is Cc1noc(C)c1-c1cnc(Nc2cc(F)cc(N3CCOCC3)c2)c2c1CCO2.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The InChIKey is HNTOQSOQSOOLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O3/c1-13-20(14(2)30-26-13)19-12-24-22(21-18(19)3-6-29-21)25-16-9-15(23)10-17(11-16)27-4-7-28-8-5-27/h9-12H,3-8H2,1-2H3,(H,24,25).
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine has a molecular weight of 410.45 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluoro-5-morpholin-4-ylphenyl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine is sourced from PubChem (CID 134806013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).