(3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

C11H11NO — CID 15760041

IUPAC(3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESCC1=N[C@H]2c3ccccc3C[C@H]2O1
InChIInChI=1S/C11H11NO/c1-7-12-11-9-5-3-2-4-8(9)6-10(11)13-7/h2-5,10-11H,6H2,1H3/t10-,11+/m1/s1
InChIKeyVVZQMEXOBRHJQN-MNOVXSKESA-N
MW173.22 g/mol
LogP2.10
Rot. Bonds

About (3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole

(3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (PubChem CID 15760041) has the molecular formula C11H11NO and a molecular weight of 173.22 g/mol. Its IUPAC name is (3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.

Molecular Properties

Compound Name(3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
PubChem CID15760041
Molecular FormulaC11H11NO
Molecular Weight173.22 g/mol
Exact Mass173.08
IUPAC Name(3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILESCC1=N[C@H]2c3ccccc3C[C@H]2O1
InChIInChI=1S/C11H11NO/c1-7-12-11-9-5-3-2-4-8(9)6-10(11)13-7/h2-5,10-11H,6H2,1H3/t10-,11+/m1/s1
InChIKeyVVZQMEXOBRHJQN-MNOVXSKESA-N
XLogP2.10
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(+)-2,2'-Methylenebis((3aR,8aS)-3a,8a-dihydro-8H-indeno(1,2-d)oxazole)
CID 1268099
(-)-2,2'-Methylenebis[(3aS,8aR)-3a,8a-dihydro-8H-indeno[1,2-d]oxazole]
CID 11024010
(3aS,8aR)-2-[2,2-Bis[(S)-4-isopropyl-4,5-dihydro-2-oxazolyl]propyl]-8,8a-dihydro-3aH-indeno[1,2-d]ox
CID 11384701
Bis(3a,8a-dihydro-8H-indeno[1,2-d]oxazol-2-yl)methane
CID 3619573
(3aR,3a'R,8aS,8a'S)-2,2'-(Cyclopropane-1,1-diyl)bis(8,8a-dihydro-3aH-indeno[1,2-d]oxazole)
CID 11245230
(3aR,8aS)-3aH,8H,8aH-indeno(1,2-d)(1,3)oxazol-2-amine
CID 102468814
(3aS,8aR)-3aH,8H,8aH-indeno(1,2-d)(1,3)oxazol-2-amine
CID 155821690
rac-(1R,2R)-2-methoxy-2,3-dihydro-1H-inden-1-amine hydrochloride
CID 165876433
2-[[(3aR,8bS)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]methyl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 2818137
(3aS,3a'S,8aR,8a'R)-2,2'-(Cyclopropane-1,1-diyl)bis(8,8a-dihydro-3aH-indeno[1,2-d]oxazole)
CID 9850233
(3aS,8bR)-2-(chloromethyl)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
CID 11020074
(3aS,3'aS,8aR,8'aR)-2,2'-(1-Methylethylidene)bis[3a,8a-dihydro-8H-Indeno[1,2-d]oxazole
CID 11068314

Frequently Asked Questions

What is the IUPAC name of (3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The IUPAC name of (3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole (CID 15760041) is (3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole.
What is the SMILES notation for (3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The canonical SMILES for (3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is CC1=N[C@H]2c3ccccc3C[C@H]2O1.
What is the InChIKey of (3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
The InChIKey is VVZQMEXOBRHJQN-MNOVXSKESA-N. The full InChI is InChI=1S/C11H11NO/c1-7-12-11-9-5-3-2-4-8(9)6-10(11)13-7/h2-5,10-11H,6H2,1H3/t10-,11+/m1/s1.
What are the key properties of (3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole?
(3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole has a molecular weight of 173.22 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR,8bS)-2-methyl-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole is sourced from PubChem (CID 15760041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).