[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone

C18H20N2O3 — CID 94487085

IUPAC[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
SMILESCc1oc(-c2ccccc2)nc1C(=O)N1CCO[C@@H]2CCC[C@@H]21
InChIInChI=1S/C18H20N2O3/c1-12-16(19-17(23-12)13-6-3-2-4-7-13)18(21)20-10-11-22-15-9-5-8-14(15)20/h2-4,6-7,14-15H,5,8-11H2,1H3/t14-,15+/m0/s1
InChIKeyOCJGDSJYENLRJS-LSDHHAIUSA-N
MW312.37 g/mol
LogP3.04
Rot. Bonds2

About [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone

[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone (PubChem CID 94487085) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
PubChem CID94487085
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
SMILESCc1oc(-c2ccccc2)nc1C(=O)N1CCO[C@@H]2CCC[C@@H]21
InChIInChI=1S/C18H20N2O3/c1-12-16(19-17(23-12)13-6-3-2-4-7-13)18(21)20-10-11-22-15-9-5-8-14(15)20/h2-4,6-7,14-15H,5,8-11H2,1H3/t14-,15+/m0/s1
InChIKeyOCJGDSJYENLRJS-LSDHHAIUSA-N
XLogP3.04
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 5-morpholin-4-yl-2-phenyl-1,3-oxazole-4-carboxylate
CID 685354
5-Methyl-2-phenyl-4-oxazolecarboxamide
CID 100344
[4-(4-Fluorophenyl)piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 2572028
4-[[5-Methyl-2-[3-(trifluoromethyl)phenyl]-4-oxazolyl]methyl]morpholine
CID 16187589
[(2S)-1-({5-methyl-2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}methyl)-2-pyrrolidinyl]methanol
CID 16189138
5-methyl-2-phenyl[1,3]oxazolo[4,5-c]quinolin-4(5H)-one
CID 2786572
6-[2-(Dimethylamino)ethylamino]-2-phenyl-1,3-benzoxazole-4,7-dione
CID 10171873
US11608337, Example 24
CID 132085846
4-Oxazolecarboxamide, 2-(2-fluorophenyl)-5-methyl-
CID 72762
N-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
CID 3238767
N-cyclopropyl-1-{[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}piperidine-4-carboxamide
CID 3241024
1-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl}-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 3242083

Frequently Asked Questions

What is the IUPAC name of [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone (CID 94487085) is [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone is Cc1oc(-c2ccccc2)nc1C(=O)N1CCO[C@@H]2CCC[C@@H]21.
What is the InChIKey of [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone?
The InChIKey is OCJGDSJYENLRJS-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H20N2O3/c1-12-16(19-17(23-12)13-6-3-2-4-7-13)18(21)20-10-11-22-15-9-5-8-14(15)20/h2-4,6-7,14-15H,5,8-11H2,1H3/t14-,15+/m0/s1.
What are the key properties of [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone?
[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 94487085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).