(3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one

C16H16N2O3 — CID 95626050

IUPAC(3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one
SMILESCc1ccc(Oc2ccc(N[C@@H]3CCOC3=O)cc2)nc1
InChIInChI=1S/C16H16N2O3/c1-11-2-7-15(17-10-11)21-13-5-3-12(4-6-13)18-14-8-9-20-16(14)19/h2-7,10,14,18H,8-9H2,1H3/t14-/m1/s1
InChIKeyFNSADRBDLGSSHV-CQSZACIVSA-N
MW284.32 g/mol
LogP2.91
Rot. Bonds4

About (3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one

(3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one (PubChem CID 95626050) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is (3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one
PubChem CID95626050
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name(3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one
SMILESCc1ccc(Oc2ccc(N[C@@H]3CCOC3=O)cc2)nc1
InChIInChI=1S/C16H16N2O3/c1-11-2-7-15(17-10-11)21-13-5-3-12(4-6-13)18-14-8-9-20-16(14)19/h2-7,10,14,18H,8-9H2,1H3/t14-/m1/s1
InChIKeyFNSADRBDLGSSHV-CQSZACIVSA-N
XLogP2.91
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one with MolForge

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Related Compounds

(2R)-N-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]-6-oxopiperidine-2-carboxamide
CID 146122029
1-[(2-methyloxan-4-yl)methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 75440822
1-[[(2S,4R)-2-methyloxan-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 97255743
4-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]piperazine-1-carboxamide
CID 127348584
[6-(4-methylphenoxy)-3-pyridinyl]hydrazine
CID 69019702
2-amino-N-[6-(4-methylphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide
CID 120798308
2-(4-tert-butylphenoxy)-5-methylpyridine
CID 135299513
N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-[(5-methyl-2-pyridinyl)oxy]benzamide
CID 18399841
2-cyclopropyl-N-[6-(4-methylphenoxy)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 86891552
1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-3-[4-[(5-methyl-2-pyridinyl)oxy]phenyl]urea
CID 86947728
(3R)-1-methyl-3-[4-(4-methylphenoxy)anilino]pyrrolidine-2,5-dione
CID 51511443
2-(3,4-dimethylphenoxy)-5-methylpyridine
CID 123670346

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one?
The IUPAC name of (3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one (CID 95626050) is (3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one.
What is the SMILES notation for (3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one?
The canonical SMILES for (3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one is Cc1ccc(Oc2ccc(N[C@@H]3CCOC3=O)cc2)nc1.
What is the InChIKey of (3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one?
The InChIKey is FNSADRBDLGSSHV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-2-7-15(17-10-11)21-13-5-3-12(4-6-13)18-14-8-9-20-16(14)19/h2-7,10,14,18H,8-9H2,1H3/t14-/m1/s1.
What are the key properties of (3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one?
(3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one has a molecular weight of 284.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-[(5-methyl-2-pyridinyl)oxy]anilino]oxolan-2-one is sourced from PubChem (CID 95626050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).