10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one

C23H23NO4 — CID 7679113

IUPAC10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
SMILESCc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(C[C@@H]1CCCO1)CO2
InChIInChI=1S/C23H23NO4/c1-15-22-17(12-24(14-27-22)13-18-8-5-9-26-18)10-20-19(11-21(25)28-23(15)20)16-6-3-2-4-7-16/h2-4,6-7,10-11,18H,5,8-9,12-14H2,1H3/t18-/m0/s1
InChIKeyHAOPRZGAXWATAK-SFHVURJKSA-N
MW377.44 g/mol
LogP4.10
Rot. Bonds3

About 10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one

10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one (PubChem CID 7679113) has the molecular formula C23H23NO4 and a molecular weight of 377.44 g/mol. Its IUPAC name is 10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one.

Molecular Properties

Compound Name10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
PubChem CID7679113
Molecular FormulaC23H23NO4
Molecular Weight377.44 g/mol
Exact Mass377.16
IUPAC Name10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
SMILESCc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(C[C@@H]1CCCO1)CO2
InChIInChI=1S/C23H23NO4/c1-15-22-17(12-24(14-27-22)13-18-8-5-9-26-18)10-20-19(11-21(25)28-23(15)20)16-6-3-2-4-7-16/h2-4,6-7,10-11,18H,5,8-9,12-14H2,1H3/t18-/m0/s1
InChIKeyHAOPRZGAXWATAK-SFHVURJKSA-N
XLogP4.10
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(7Z)-7-benzylidene-9-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
CID 110276022
(7Z)-9-methyl-7-[(5-methylfuran-2-yl)methylidene]-3-(oxolan-2-ylmethyl)-2,4-dihydrofuro[3,2-g][1,3]benzoxazin-6-one
CID 110276074
3-(furan-2-ylmethyl)-6-(4-methoxyphenyl)-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 4913878
6-(4-methoxyphenyl)-10-methyl-3-(pyridin-2-ylmethyl)-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 4975701
1-[4-methyl-9-[[(2S)-oxolan-2-yl]methyl]-3,11-dioxa-9-azatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),2(6),4,7(12),13,15-hexaen-5-yl]ethanone
CID 1279724
3-[(2-chlorophenyl)methyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 4913843
3-[(3-chlorophenyl)methyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 4913845
3-[(2-methoxyphenyl)methyl]-6,10-dimethyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 4913865
10-[(4-chlorophenyl)methyl]-7-methyl-1,2,3,4,9,11-hexahydroisochromeno[4,3-g][1,3]benzoxazin-5-one
CID 3847450
3-cyclopentyl-6-ethyl-10-methyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one
CID 7680075
2-methyl-6-(pyridin-2-ylmethyl)-4,17-dioxa-6-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11(15)-tetraen-16-one
CID 4896897
7-methyl-10-(2-phenylpropyl)-9,11-dihydroisochromeno[4,3-g][1,3]benzoxazin-5-one
CID 3565157

Frequently Asked Questions

What is the IUPAC name of 10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The IUPAC name of 10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one (CID 7679113) is 10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one.
What is the SMILES notation for 10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The canonical SMILES for 10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one is Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(C[C@@H]1CCCO1)CO2.
What is the InChIKey of 10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
The InChIKey is HAOPRZGAXWATAK-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23NO4/c1-15-22-17(12-24(14-27-22)13-18-8-5-9-26-18)10-20-19(11-21(25)28-23(15)20)16-6-3-2-4-7-16/h2-4,6-7,10-11,18H,5,8-9,12-14H2,1H3/t18-/m0/s1.
What are the key properties of 10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one?
10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one has a molecular weight of 377.44 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-3-[[(2S)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydropyrano[3,2-g][1,3]benzoxazin-8-one is sourced from PubChem (CID 7679113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).