(4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione

C19H17NO3 — CID 102505304

IUPAC(4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione
SMILESO=C1CC[C@@]2(c3ccccc3)C(=O)OC[C@@H](c3ccccc3)N12
InChIInChI=1S/C19H17NO3/c21-17-11-12-19(15-9-5-2-6-10-15)18(22)23-13-16(20(17)19)14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-,19+/m0/s1
InChIKeyBLPFHKURNPWRMI-QFBILLFUSA-N
MW307.35 g/mol
LogP2.80
Rot. Bonds2

About (4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione

(4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione (PubChem CID 102505304) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione.

Molecular Properties

Compound Name(4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione
PubChem CID102505304
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name(4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione
SMILESO=C1CC[C@@]2(c3ccccc3)C(=O)OC[C@@H](c3ccccc3)N12
InChIInChI=1S/C19H17NO3/c21-17-11-12-19(15-9-5-2-6-10-15)18(22)23-13-16(20(17)19)14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-,19+/m0/s1
InChIKeyBLPFHKURNPWRMI-QFBILLFUSA-N
XLogP2.80
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione with MolForge

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Related Compounds

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(3S,7aR)-7a-methyl-2,2,3-triphenyl-6,7-dihydro-3H-pyrrolo[2,1-b][1,3]oxazol-5-one
CID 15362456
(3S,8aR)-3-phenyl-8a-propyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 10777688
(3R,8aR)-3,8a-diphenyl-6,6-bis(prop-2-enyl)-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11595898
(5S,7S,8S)-8-hydroxy-7-methyl-5-phenyl-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
CID 101388379
(7aS)-3-phenyl-7a-[4-(2-phenylethyl)cyclohexyl]-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 70661247
(3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
CID 101053645
(4R,9aS)-9a-ethyl-4-phenyl-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,4]oxazin-1-one
CID 10038190
(3R,7aR)-3-phenyl-7a-prop-2-enyl-1,3,6,7-tetrahydropyrrolo[1,2-c][1,3]oxazol-5-one
CID 15427486
3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 54857270
(4R,9aR)-9a-benzyl-4-phenyl-3,4,6,7,8,9-hexahydropyrido[2,1-c][1,4]oxazin-1-one
CID 10064690
(3R,7aR)-7a-[3-[(2S)-1-[(1R)-2-hydroxy-1-phenylethyl]-5-oxopyrrolidin-2-yl]phenyl]-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 53349747

Frequently Asked Questions

What is the IUPAC name of (4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione?
The IUPAC name of (4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione (CID 102505304) is (4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione.
What is the SMILES notation for (4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione?
The canonical SMILES for (4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione is O=C1CC[C@@]2(c3ccccc3)C(=O)OC[C@@H](c3ccccc3)N12.
What is the InChIKey of (4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione?
The InChIKey is BLPFHKURNPWRMI-QFBILLFUSA-N. The full InChI is InChI=1S/C19H17NO3/c21-17-11-12-19(15-9-5-2-6-10-15)18(22)23-13-16(20(17)19)14-7-3-1-4-8-14/h1-10,16H,11-13H2/t16-,19+/m0/s1.
What are the key properties of (4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione?
(4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione has a molecular weight of 307.35 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,8aR)-4,8a-diphenyl-3,4,7,8-tetrahydropyrrolo[2,1-c][1,4]oxazine-1,6-dione is sourced from PubChem (CID 102505304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).