N-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine

C19H16N4O3S — CID 88585423

IUPACN-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine
SMILESC=S(=O)(Nc1cc(-c2nc3ncccc3o2)ccn1)c1ccc(OC)cc1
InChIInChI=1S/C19H16N4O3S/c1-25-14-5-7-15(8-6-14)27(2,24)23-17-12-13(9-11-20-17)19-22-18-16(26-19)4-3-10-21-18/h3-12H,2H2,1H3,(H,20,23,24)
InChIKeyFPCIETSXWROCIL-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.40
Rot. Bonds5

About N-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine

N-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine (PubChem CID 88585423) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine
PubChem CID88585423
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine
SMILESC=S(=O)(Nc1cc(-c2nc3ncccc3o2)ccn1)c1ccc(OC)cc1
InChIInChI=1S/C19H16N4O3S/c1-25-14-5-7-15(8-6-14)27(2,24)23-17-12-13(9-11-20-17)19-22-18-16(26-19)4-3-10-21-18/h3-12H,2H2,1H3,(H,20,23,24)
InChIKeyFPCIETSXWROCIL-UHFFFAOYSA-N
XLogP3.40
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine?
The IUPAC name of N-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine (CID 88585423) is N-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine?
The canonical SMILES for N-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine is C=S(=O)(Nc1cc(-c2nc3ncccc3o2)ccn1)c1ccc(OC)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine?
The InChIKey is FPCIETSXWROCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-25-14-5-7-15(8-6-14)27(2,24)23-17-12-13(9-11-20-17)19-22-18-16(26-19)4-3-10-21-18/h3-12H,2H2,1H3,(H,20,23,24).
What are the key properties of N-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine?
N-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine has a molecular weight of 380.43 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-methylidene-oxo-λ6-sulfanyl]-4-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyridin-2-amine is sourced from PubChem (CID 88585423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).