(8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one

C16H23N3O3 — CID 110201554

IUPAC(8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
SMILESCc1ncoc1C(=O)N1CCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C16H23N3O3/c1-11-14(22-10-18-11)16(21)19-9-4-2-3-8-17-15(20)12-6-5-7-13(12)19/h10,12-13H,2-9H2,1H3,(H,17,20)/t12-,13+/m1/s1
InChIKeyWSJXFQHCZKXEBH-OLZOCXBDSA-N
MW305.38 g/mol
LogP1.89
Rot. Bonds1

About (8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one

(8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one (PubChem CID 110201554) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is (8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one.

Molecular Properties

Compound Name(8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
PubChem CID110201554
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name(8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one
SMILESCc1ncoc1C(=O)N1CCCCCNC(=O)[C@@H]2CCC[C@@H]21
InChIInChI=1S/C16H23N3O3/c1-11-14(22-10-18-11)16(21)19-9-4-2-3-8-17-15(20)12-6-5-7-13(12)19/h10,12-13H,2-9H2,1H3,(H,17,20)/t12-,13+/m1/s1
InChIKeyWSJXFQHCZKXEBH-OLZOCXBDSA-N
XLogP1.89
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one 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 (8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
The IUPAC name of (8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one (CID 110201554) is (8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one.
What is the SMILES notation for (8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
The canonical SMILES for (8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one is Cc1ncoc1C(=O)N1CCCCCNC(=O)[C@@H]2CCC[C@@H]21.
What is the InChIKey of (8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
The InChIKey is WSJXFQHCZKXEBH-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-14(22-10-18-11)16(21)19-9-4-2-3-8-17-15(20)12-6-5-7-13(12)19/h10,12-13H,2-9H2,1H3,(H,17,20)/t12-,13+/m1/s1.
What are the key properties of (8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one?
(8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one has a molecular weight of 305.38 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8aR,11aS)-1-(4-methyl-1,3-oxazole-5-carbonyl)-3,4,5,6,7,8a,9,10,11,11a-decahydro-2H-cyclopenta[b][1,5]diazecin-8-one is sourced from PubChem (CID 110201554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).