(3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one

C19H24FN3O4 — CID 56757065

IUPAC(3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
SMILESO=C(c1ccc(F)cc1)N1C[C@H]2OC(=O)N(CCCN3CCOCC3)[C@H]2C1
InChIInChI=1S/C19H24FN3O4/c20-15-4-2-14(3-5-15)18(24)22-12-16-17(13-22)27-19(25)23(16)7-1-6-21-8-10-26-11-9-21/h2-5,16-17H,1,6-13H2/t16-,17+/m0/s1
InChIKeySUFBGUZXQUVONM-DLBZAZTESA-N
MW377.42 g/mol
LogP1.19
Rot. Bonds5

About (3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one

(3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one (PubChem CID 56757065) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is (3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one.

Molecular Properties

Compound Name(3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
PubChem CID56757065
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Name(3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one
SMILESO=C(c1ccc(F)cc1)N1C[C@H]2OC(=O)N(CCCN3CCOCC3)[C@H]2C1
InChIInChI=1S/C19H24FN3O4/c20-15-4-2-14(3-5-15)18(24)22-12-16-17(13-22)27-19(25)23(16)7-1-6-21-8-10-26-11-9-21/h2-5,16-17H,1,6-13H2/t16-,17+/m0/s1
InChIKeySUFBGUZXQUVONM-DLBZAZTESA-N
XLogP1.19
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one 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

3-[2-(Dimethylamino)ethyl]-8-(2-fluoro-4-methylbenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70706870
[4-(4-Fluorobenzoyl)-8-(2-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 45983498
[4-(4-Fluorobenzoyl)-8-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 45983536
4-Benzoyl-8-(2,4-difluorobenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 45983847
8-(4-Fluorobenzoyl)-4-(4-methylbenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 45984127
[4-(3-Fluorobenzoyl)-8-(4-fluorobenzoyl)-1-oxa-4,8-diazaspiro[4.5]decan-3-yl]-pyrrolidin-1-ylmethanone
CID 45984489
4-(3-Fluorobenzoyl)-8-(4-fluorobenzoyl)-3-(morpholine-4-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 45984490
4-(3-Fluorobenzoyl)-8-(2-methylbenzoyl)-3-(pyrrolidine-1-carbonyl)-1-oxa-4,8-diazaspiro[4.5]decane
CID 45984523
(3aS*,6aR*)-5-(2-fluorobenzyl)-3-(3-morpholin-4-ylpropyl)hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-one
CID 56743227
(3aS*,6aR*)-5-benzyl-3-(3-morpholin-4-ylpropyl)hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-one
CID 56744660
(3aS*,6aR*)-5-(3-fluorobenzyl)-3-(3-morpholin-4-ylpropyl)hexahydro-2H-pyrrolo[3,4-d][1,3]oxazol-2-one
CID 56752412
(4aR,7aS)-6-(4-fluorobenzoyl)-4-(2-methoxyethyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775321

Frequently Asked Questions

What is the IUPAC name of (3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one?
The IUPAC name of (3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one (CID 56757065) is (3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one.
What is the SMILES notation for (3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one?
The canonical SMILES for (3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one is O=C(c1ccc(F)cc1)N1C[C@H]2OC(=O)N(CCCN3CCOCC3)[C@H]2C1.
What is the InChIKey of (3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one?
The InChIKey is SUFBGUZXQUVONM-DLBZAZTESA-N. The full InChI is InChI=1S/C19H24FN3O4/c20-15-4-2-14(3-5-15)18(24)22-12-16-17(13-22)27-19(25)23(16)7-1-6-21-8-10-26-11-9-21/h2-5,16-17H,1,6-13H2/t16-,17+/m0/s1.
What are the key properties of (3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one?
(3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one has a molecular weight of 377.42 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6aR)-5-(4-fluorobenzoyl)-3-(3-morpholin-4-ylpropyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,3]oxazol-2-one is sourced from PubChem (CID 56757065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).