(5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone

C19H18N2O3 — CID 164634848

IUPAC(5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone
SMILESCc1ccc2oc(C(=O)N3COCC[C@H]3c3ccccc3)cc2n1
InChIInChI=1S/C19H18N2O3/c1-13-7-8-17-15(20-13)11-18(24-17)19(22)21-12-23-10-9-16(21)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3/t16-/m0/s1
InChIKeyLTUXKQVUDLFNCL-INIZCTEOSA-N
MW322.36 g/mol
LogP3.70
Rot. Bonds2

About (5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone

(5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone (PubChem CID 164634848) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is (5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone.

Molecular Properties

Compound Name(5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone
PubChem CID164634848
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name(5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone
SMILESCc1ccc2oc(C(=O)N3COCC[C@H]3c3ccccc3)cc2n1
InChIInChI=1S/C19H18N2O3/c1-13-7-8-17-15(20-13)11-18(24-17)19(22)21-12-23-10-9-16(21)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3/t16-/m0/s1
InChIKeyLTUXKQVUDLFNCL-INIZCTEOSA-N
XLogP3.70
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone?
The IUPAC name of (5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone (CID 164634848) is (5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone.
What is the SMILES notation for (5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone?
The canonical SMILES for (5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone is Cc1ccc2oc(C(=O)N3COCC[C@H]3c3ccccc3)cc2n1.
What is the InChIKey of (5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone?
The InChIKey is LTUXKQVUDLFNCL-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-7-8-17-15(20-13)11-18(24-17)19(22)21-12-23-10-9-16(21)14-5-3-2-4-6-14/h2-8,11,16H,9-10,12H2,1H3/t16-/m0/s1.
What are the key properties of (5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone?
(5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone has a molecular weight of 322.36 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuro[3,2-b]pyridin-2-yl)-[(4S)-4-phenyl-1,3-oxazinan-3-yl]methanone is sourced from PubChem (CID 164634848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).