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

C18H15ClFN3O2 — CID 134806692

IUPACN-(3-chloro-4-fluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESCc1noc(C)c1-c1cnc(Nc2ccc(F)c(Cl)c2)c2c1CCO2
InChIInChI=1S/C18H15ClFN3O2/c1-9-16(10(2)25-23-9)13-8-21-18(17-12(13)5-6-24-17)22-11-3-4-15(20)14(19)7-11/h3-4,7-8H,5-6H2,1-2H3,(H,21,22)
InChIKeyDPJMKBGAVWYNSD-UHFFFAOYSA-N
MW359.79 g/mol
LogP4.82
Rot. Bonds3

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

N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine (PubChem CID 134806692) has the molecular formula C18H15ClFN3O2 and a molecular weight of 359.79 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
PubChem CID134806692
Molecular FormulaC18H15ClFN3O2
Molecular Weight359.79 g/mol
Exact Mass359.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESCc1noc(C)c1-c1cnc(Nc2ccc(F)c(Cl)c2)c2c1CCO2
InChIInChI=1S/C18H15ClFN3O2/c1-9-16(10(2)25-23-9)13-8-21-18(17-12(13)5-6-24-17)22-11-3-4-15(20)14(19)7-11/h3-4,7-8H,5-6H2,1-2H3,(H,21,22)
InChIKeyDPJMKBGAVWYNSD-UHFFFAOYSA-N
XLogP4.82
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.79
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine (CID 134806692) is N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine is Cc1noc(C)c1-c1cnc(Nc2ccc(F)c(Cl)c2)c2c1CCO2.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The InChIKey is DPJMKBGAVWYNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFN3O2/c1-9-16(10(2)25-23-9)13-8-21-18(17-12(13)5-6-24-17)22-11-3-4-15(20)14(19)7-11/h3-4,7-8H,5-6H2,1-2H3,(H,21,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine has a molecular weight of 359.79 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine is sourced from PubChem (CID 134806692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).