[3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone

C19H17FN2O3 — CID 71448329

IUPAC[3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC3ON=C(c4ccc(F)cc4)C3C2)cc1
InChIInChI=1S/C19H17FN2O3/c1-24-15-8-4-13(5-9-15)19(23)22-10-16-17(11-22)25-21-18(16)12-2-6-14(20)7-3-12/h2-9,16-17H,10-11H2,1H3
InChIKeyLHVXXFPJEYIQBZ-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.71
Rot. Bonds3

About [3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone

[3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone (PubChem CID 71448329) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone
PubChem CID71448329
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name[3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CC3ON=C(c4ccc(F)cc4)C3C2)cc1
InChIInChI=1S/C19H17FN2O3/c1-24-15-8-4-13(5-9-15)19(23)22-10-16-17(11-22)25-21-18(16)12-2-6-14(20)7-3-12/h2-9,16-17H,10-11H2,1H3
InChIKeyLHVXXFPJEYIQBZ-UHFFFAOYSA-N
XLogP2.71
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)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

(4-fluorophenyl)-[3-(4-methoxyphenyl)-4-methylpiperidin-1-yl]methanone
CID 153340115
(4-fluorophenyl)-[3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-1-yl]methanone
CID 75615785
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 3553771
[(3S,4S)-1-(4-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
CID 69458522
[(3R,4R)-1-(4-fluorobenzoyl)-4-methylpyrrolidin-3-yl]-(4-methoxyphenyl)methanone
CID 11416561
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
(3-fluorophenyl)-(3-pyridin-3-yl-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl)methanone
CID 71729669
N,N-diethyl-1-(4-fluorobenzoyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42680299
N-cyclopropyl-4-(4-fluorophenyl)-1-(4-methoxybenzoyl)pyrrolidine-3-carboxamide
CID 42827099
(4-fluorophenyl)-[(3S)-3-[5-(4-methoxyphenyl)tetrazol-2-yl]piperidin-1-yl]methanone
CID 11589020
[4-(4-fluorophenoxy)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110396932
methyl 3-(4-methoxyphenyl)-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[d][1,2]oxazole-6-carboxylate
CID 19899074

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone (CID 71448329) is [3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)N2CC3ON=C(c4ccc(F)cc4)C3C2)cc1.
What is the InChIKey of [3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone?
The InChIKey is LHVXXFPJEYIQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-24-15-8-4-13(5-9-15)19(23)22-10-16-17(11-22)25-21-18(16)12-2-6-14(20)7-3-12/h2-9,16-17H,10-11H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone?
[3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone has a molecular weight of 340.35 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-3a,4,6,6a-tetrahydropyrrolo[3,4-d][1,2]oxazol-5-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 71448329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).