1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine

C21H22N4O3 — CID 134807406

IUPAC1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine
SMILESCOc1cc(-c2nc(-c3c(C)noc3C)cc3cc(CN(C)C)oc23)ccn1
InChIInChI=1S/C21H22N4O3/c1-12-19(13(2)28-24-12)17-9-15-8-16(11-25(3)4)27-21(15)20(23-17)14-6-7-22-18(10-14)26-5/h6-10H,11H2,1-5H3
InChIKeyPPZMQCUHYAKWQO-UHFFFAOYSA-N
MW378.43 g/mol
LogP4.23
Rot. Bonds5

About 1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine

1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine (PubChem CID 134807406) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine
PubChem CID134807406
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine
SMILESCOc1cc(-c2nc(-c3c(C)noc3C)cc3cc(CN(C)C)oc23)ccn1
InChIInChI=1S/C21H22N4O3/c1-12-19(13(2)28-24-12)17-9-15-8-16(11-25(3)4)27-21(15)20(23-17)14-6-7-22-18(10-14)26-5/h6-10H,11H2,1-5H3
InChIKeyPPZMQCUHYAKWQO-UHFFFAOYSA-N
XLogP4.23
TPSA77.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine (CID 134807406) is 1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine is COc1cc(-c2nc(-c3c(C)noc3C)cc3cc(CN(C)C)oc23)ccn1.
What is the InChIKey of 1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is PPZMQCUHYAKWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-12-19(13(2)28-24-12)17-9-15-8-16(11-25(3)4)27-21(15)20(23-17)14-6-7-22-18(10-14)26-5/h6-10H,11H2,1-5H3.
What are the key properties of 1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine?
1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 378.43 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-methoxy-4-pyridinyl)furo[2,3-c]pyridin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 134807406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).