(NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

C20H16N4O3 — CID 135401911

IUPAC(NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCc1cc(-c2oc3cnccc3c2Nc2ccc3c(c2)CC/C3=N\O)no1
InChIInChI=1S/C20H16N4O3/c1-11-8-17(24-27-11)20-19(15-6-7-21-10-18(15)26-20)22-13-3-4-14-12(9-13)2-5-16(14)23-25/h3-4,6-10,22,25H,2,5H2,1H3/b23-16+
InChIKeyMZKDXQUIMHDHKF-XQNSMLJCSA-N
MW360.37 g/mol
LogP4.66
Rot. Bonds3

About (NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine

(NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (PubChem CID 135401911) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is (NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
PubChem CID135401911
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC Name(NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine
SMILESCc1cc(-c2oc3cnccc3c2Nc2ccc3c(c2)CC/C3=N\O)no1
InChIInChI=1S/C20H16N4O3/c1-11-8-17(24-27-11)20-19(15-6-7-21-10-18(15)26-20)22-13-3-4-14-12(9-13)2-5-16(14)23-25/h3-4,6-10,22,25H,2,5H2,1H3/b23-16+
InChIKeyMZKDXQUIMHDHKF-XQNSMLJCSA-N
XLogP4.66
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The IUPAC name of (NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine (CID 135401911) is (NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is Cc1cc(-c2oc3cnccc3c2Nc2ccc3c(c2)CC/C3=N\O)no1.
What is the InChIKey of (NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
The InChIKey is MZKDXQUIMHDHKF-XQNSMLJCSA-N. The full InChI is InChI=1S/C20H16N4O3/c1-11-8-17(24-27-11)20-19(15-6-7-21-10-18(15)26-20)22-13-3-4-14-12(9-13)2-5-16(14)23-25/h3-4,6-10,22,25H,2,5H2,1H3/b23-16+.
What are the key properties of (NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine?
(NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine has a molecular weight of 360.37 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[5-[[2-(5-methyl-1,2-oxazol-3-yl)furo[2,3-c]pyridin-3-yl]amino]-2,3-dihydroinden-1-ylidene]hydroxylamine is sourced from PubChem (CID 135401911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).