(3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

C18H23NO2 — CID 134882926

IUPAC(3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESO=C1[C@H](C2CCCCC2)C[C@H]2CO[C@H](c3ccccc3)N12
InChIInChI=1S/C18H23NO2/c20-17-16(13-7-3-1-4-8-13)11-15-12-21-18(19(15)17)14-9-5-2-6-10-14/h2,5-6,9-10,13,15-16,18H,1,3-4,7-8,11-12H2/t15-,16-,18+/m0/s1
InChIKeyDUYGJDVIGYQSED-XYJFISCASA-N
MW285.39 g/mol
LogP3.51
Rot. Bonds2

About (3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one

(3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (PubChem CID 134882926) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is (3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.

Molecular Properties

Compound Name(3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
PubChem CID134882926
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name(3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one
SMILESO=C1[C@H](C2CCCCC2)C[C@H]2CO[C@H](c3ccccc3)N12
InChIInChI=1S/C18H23NO2/c20-17-16(13-7-3-1-4-8-13)11-15-12-21-18(19(15)17)14-9-5-2-6-10-14/h2,5-6,9-10,13,15-16,18H,1,3-4,7-8,11-12H2/t15-,16-,18+/m0/s1
InChIKeyDUYGJDVIGYQSED-XYJFISCASA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

Pyrrolo(2,1-b)oxazol-5-one, 2,3,5,6,7,7a-hexahydro-7a-phenyl-
CID 201901
(3R,7aS)-3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(1H)-one
CID 395160
5-Methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
CID 13592840
(3S-cis)-(+)-Tetrahydro-3,7a-diphenylpyrrolo[2,1-b]oxazol-5(6H)-one
CID 854037
Cycloclausenamide
CID 13592842
3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 3692665
3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 14320792
(1R,3R,4R,7R)-5-methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one
CID 163016147
3-Phenyltetrahydropyrrolo[1,2-c]oxazol-5(3H)-one
CID 500387
(3s,9Br)-3-benzyl-2,3-dihydrooxazolo[2,3-a]isoindol-5(9bh)-one
CID 10956434
(3R,7aS)-7a-but-3-enyl-3-phenyl-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 12154069
(3r,9Bs)-3-benzyl-2,3-dihydrooxazolo[2,3-a]isoindol-5(9bh)-one
CID 14320791

Frequently Asked Questions

What is the IUPAC name of (3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The IUPAC name of (3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one (CID 134882926) is (3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one.
What is the SMILES notation for (3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The canonical SMILES for (3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is O=C1[C@H](C2CCCCC2)C[C@H]2CO[C@H](c3ccccc3)N12.
What is the InChIKey of (3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
The InChIKey is DUYGJDVIGYQSED-XYJFISCASA-N. The full InChI is InChI=1S/C18H23NO2/c20-17-16(13-7-3-1-4-8-13)11-15-12-21-18(19(15)17)14-9-5-2-6-10-14/h2,5-6,9-10,13,15-16,18H,1,3-4,7-8,11-12H2/t15-,16-,18+/m0/s1.
What are the key properties of (3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one?
(3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one has a molecular weight of 285.39 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S,7aS)-6-cyclohexyl-3-phenyl-3,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-5-one is sourced from PubChem (CID 134882926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).