(4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine

C25H23N3O4 — CID 45256482

IUPAC(4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
SMILESCC1(COc2ccc3c(c2)[C@@]2(COC(N)=N2)c2cc(-c4ccccc4)cnc2O3)COC1
InChIInChI=1S/C25H23N3O4/c1-24(12-29-13-24)14-30-18-7-8-21-19(10-18)25(15-31-23(26)28-25)20-9-17(11-27-22(20)32-21)16-5-3-2-4-6-16/h2-11H,12-15H2,1H3,(H2,26,28)/t25-/m0/s1
InChIKeyUQNZRMHUELAMFL-VWLOTQADSA-N
MW429.48 g/mol
LogP3.86
Rot. Bonds4

About (4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine

(4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine (PubChem CID 45256482) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is (4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine.

Molecular Properties

Compound Name(4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
PubChem CID45256482
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name(4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
SMILESCC1(COc2ccc3c(c2)[C@@]2(COC(N)=N2)c2cc(-c4ccccc4)cnc2O3)COC1
InChIInChI=1S/C25H23N3O4/c1-24(12-29-13-24)14-30-18-7-8-21-19(10-18)25(15-31-23(26)28-25)20-9-17(11-27-22(20)32-21)16-5-3-2-4-6-16/h2-11H,12-15H2,1H3,(H2,26,28)/t25-/m0/s1
InChIKeyUQNZRMHUELAMFL-VWLOTQADSA-N
XLogP3.86
TPSA88.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?
The IUPAC name of (4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine (CID 45256482) is (4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine.
What is the SMILES notation for (4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?
The canonical SMILES for (4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine is CC1(COc2ccc3c(c2)[C@@]2(COC(N)=N2)c2cc(-c4ccccc4)cnc2O3)COC1.
What is the InChIKey of (4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?
The InChIKey is UQNZRMHUELAMFL-VWLOTQADSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-24(12-29-13-24)14-30-18-7-8-21-19(10-18)25(15-31-23(26)28-25)20-9-17(11-27-22(20)32-21)16-5-3-2-4-6-16/h2-11H,12-15H2,1H3,(H2,26,28)/t25-/m0/s1.
What are the key properties of (4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine?
(4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine has a molecular weight of 429.48 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-7'-[(3-methyloxetan-3-yl)methoxy]-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine is sourced from PubChem (CID 45256482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).