(1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine

C29H23NO3 — CID 102041984

IUPAC(1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
SMILESCc1oc(-c2ccccc2)c2c1[C@H](c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccco1
InChIInChI=1S/C29H23NO3/c1-20-25-26(28(32-20)21-12-5-2-6-13-21)27(24-18-11-19-31-24)30(23-16-9-4-10-17-23)33-29(25)22-14-7-3-8-15-22/h2-19,27,29H,1H3/t27-,29+/m1/s1
InChIKeyCIGCUNPQMZTZSE-PXJZQJOASA-N
MW433.51 g/mol
LogP7.48
Rot. Bonds4

About (1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine

(1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine (PubChem CID 102041984) has the molecular formula C29H23NO3 and a molecular weight of 433.51 g/mol. Its IUPAC name is (1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine.

Molecular Properties

Compound Name(1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
PubChem CID102041984
Molecular FormulaC29H23NO3
Molecular Weight433.51 g/mol
Exact Mass433.17
IUPAC Name(1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
SMILESCc1oc(-c2ccccc2)c2c1[C@H](c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccco1
InChIInChI=1S/C29H23NO3/c1-20-25-26(28(32-20)21-12-5-2-6-13-21)27(24-18-11-19-31-24)30(23-16-9-4-10-17-23)33-29(25)22-14-7-3-8-15-22/h2-19,27,29H,1H3/t27-,29+/m1/s1
InChIKeyCIGCUNPQMZTZSE-PXJZQJOASA-N
XLogP7.48
TPSA38.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.51
LogP ≤ 57.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine with MolForge

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Related Compounds

(1S,4R)-1-(furan-2-yl)-6-methyl-2,4,8-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine
CID 132584819
(1S,4R)-4-(4-bromophenyl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine
CID 102041986
(1S,4R)-1,3,4,5,7-pentakis-phenyl-1,4-dihydrofuro[3,4-d]oxazine
CID 102041983
(2S,5R)-8-(4-methoxyphenyl)-2,4,5,6-tetraphenyl-5H-furo[3,4-d][1,6,2]dioxazepine
CID 102416207
(1R,4R)-6-methyl-8-naphthalen-1-yl-1,2,4-triphenyl-4,5-dihydro-1H-furo[3,4-d]oxazepine
CID 132584823
6-(furan-2-yl)-4-methyl-2-phenyl-3,6-dihydrooxazine
CID 102338825
(3R,5R)-3-(furan-2-yl)-2-phenyl-1,2-oxazolidine-5-carbonitrile
CID 102077139
(3R,3aR,6aR)-3-(furan-2-yl)-5-(2-methylphenyl)-2-phenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 7707752
(2R,5R)-5-(furan-2-yl)-1,2-diphenylpyrrolidin-3-one
CID 11197439
(3R,4R)-4-(furan-2-yl)-1,3-diphenylazetidin-2-one
CID 11346786
3-(furan-2-yl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 2865812
(3R,3aS,6aR)-3-(furan-2-yl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
CID 986941

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine?
The IUPAC name of (1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine (CID 102041984) is (1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine.
What is the SMILES notation for (1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine?
The canonical SMILES for (1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine is Cc1oc(-c2ccccc2)c2c1[C@H](c1ccccc1)ON(c1ccccc1)[C@@H]2c1ccco1.
What is the InChIKey of (1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine?
The InChIKey is CIGCUNPQMZTZSE-PXJZQJOASA-N. The full InChI is InChI=1S/C29H23NO3/c1-20-25-26(28(32-20)21-12-5-2-6-13-21)27(24-18-11-19-31-24)30(23-16-9-4-10-17-23)33-29(25)22-14-7-3-8-15-22/h2-19,27,29H,1H3/t27-,29+/m1/s1.
What are the key properties of (1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine?
(1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine has a molecular weight of 433.51 g/mol, XLogP of 7.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-(furan-2-yl)-7-methyl-1,3,5-triphenyl-1,4-dihydrofuro[3,4-d]oxazine is sourced from PubChem (CID 102041984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).