(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone

C12H18N2O3 — CID 166662425

IUPAC(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone
SMILESCC1=NOC2(C(=O)N3CCOCC3)CCCC12
InChIInChI=1S/C12H18N2O3/c1-9-10-3-2-4-12(10,17-13-9)11(15)14-5-7-16-8-6-14/h10H,2-8H2,1H3
InChIKeyKCWZRIRGOXFAOH-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.79
Rot. Bonds1

About (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone

(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone (PubChem CID 166662425) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone
PubChem CID166662425
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone
SMILESCC1=NOC2(C(=O)N3CCOCC3)CCCC12
InChIInChI=1S/C12H18N2O3/c1-9-10-3-2-4-12(10,17-13-9)11(15)14-5-7-16-8-6-14/h10H,2-8H2,1H3
InChIKeyKCWZRIRGOXFAOH-UHFFFAOYSA-N
XLogP0.79
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone?
The IUPAC name of (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone (CID 166662425) is (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone is CC1=NOC2(C(=O)N3CCOCC3)CCCC12.
What is the InChIKey of (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone?
The InChIKey is KCWZRIRGOXFAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9-10-3-2-4-12(10,17-13-9)11(15)14-5-7-16-8-6-14/h10H,2-8H2,1H3.
What are the key properties of (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone?
(3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone has a molecular weight of 238.29 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3a,4,5,6-tetrahydrocyclopenta[d][1,2]oxazol-6a-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 166662425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).