(7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole

C19H21NO — CID 69019014

IUPAC(7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
SMILESCC1OC(c2ccccc2)(c2ccccc2)N2CCC[C@H]12
InChIInChI=1S/C19H21NO/c1-15-18-13-8-14-20(18)19(21-15,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18H,8,13-14H2,1H3/t15?,18-/m1/s1
InChIKeyCQSVYLNIAMLLJE-KPMSDPLLSA-N
MW279.38 g/mol
LogP3.77
Rot. Bonds2

About (7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole

(7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole (PubChem CID 69019014) has the molecular formula C19H21NO and a molecular weight of 279.38 g/mol. Its IUPAC name is (7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole.

Molecular Properties

Compound Name(7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
PubChem CID69019014
Molecular FormulaC19H21NO
Molecular Weight279.38 g/mol
Exact Mass279.16
IUPAC Name(7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole
SMILESCC1OC(c2ccccc2)(c2ccccc2)N2CCC[C@H]12
InChIInChI=1S/C19H21NO/c1-15-18-13-8-14-20(18)19(21-15,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18H,8,13-14H2,1H3/t15?,18-/m1/s1
InChIKeyCQSVYLNIAMLLJE-KPMSDPLLSA-N
XLogP3.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole?
The IUPAC name of (7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole (CID 69019014) is (7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole.
What is the SMILES notation for (7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole?
The canonical SMILES for (7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole is CC1OC(c2ccccc2)(c2ccccc2)N2CCC[C@H]12.
What is the InChIKey of (7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole?
The InChIKey is CQSVYLNIAMLLJE-KPMSDPLLSA-N. The full InChI is InChI=1S/C19H21NO/c1-15-18-13-8-14-20(18)19(21-15,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12,15,18H,8,13-14H2,1H3/t15?,18-/m1/s1.
What are the key properties of (7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole?
(7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole has a molecular weight of 279.38 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7aR)-1-methyl-3,3-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazole is sourced from PubChem (CID 69019014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).