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

C17H15ClN4O2 — CID 134809084

IUPACN-(5-chloro-2-pyridinyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESCc1noc(C)c1-c1cnc(Nc2ccc(Cl)cn2)c2c1CCO2
InChIInChI=1S/C17H15ClN4O2/c1-9-15(10(2)24-22-9)13-8-20-17(16-12(13)5-6-23-16)21-14-4-3-11(18)7-19-14/h3-4,7-8H,5-6H2,1-2H3,(H,19,20,21)
InChIKeyIOGILUIXQYDHPW-UHFFFAOYSA-N
MW342.79 g/mol
LogP4.08
Rot. Bonds3

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

N-(5-chloro-2-pyridinyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine (PubChem CID 134809084) has the molecular formula C17H15ClN4O2 and a molecular weight of 342.79 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
PubChem CID134809084
Molecular FormulaC17H15ClN4O2
Molecular Weight342.79 g/mol
Exact Mass342.09
IUPAC NameN-(5-chloro-2-pyridinyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine
SMILESCc1noc(C)c1-c1cnc(Nc2ccc(Cl)cn2)c2c1CCO2
InChIInChI=1S/C17H15ClN4O2/c1-9-15(10(2)24-22-9)13-8-20-17(16-12(13)5-6-23-16)21-14-4-3-11(18)7-19-14/h3-4,7-8H,5-6H2,1-2H3,(H,19,20,21)
InChIKeyIOGILUIXQYDHPW-UHFFFAOYSA-N
XLogP4.08
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.79
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The IUPAC name of N-(5-chloro-2-pyridinyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine (CID 134809084) is N-(5-chloro-2-pyridinyl)-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-(5-chloro-2-pyridinyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine is Cc1noc(C)c1-c1cnc(Nc2ccc(Cl)cn2)c2c1CCO2.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
The InChIKey is IOGILUIXQYDHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O2/c1-9-15(10(2)24-22-9)13-8-20-17(16-12(13)5-6-23-16)21-14-4-3-11(18)7-19-14/h3-4,7-8H,5-6H2,1-2H3,(H,19,20,21).
What are the key properties of N-(5-chloro-2-pyridinyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine?
N-(5-chloro-2-pyridinyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine has a molecular weight of 342.79 g/mol, XLogP of 4.08, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)-2,3-dihydrofuro[2,3-c]pyridin-7-amine is sourced from PubChem (CID 134809084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).