(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

C18H15F2N5O4 — CID 122460204

IUPAC(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
SMILESC[C@]1(CN2Cc3nc(-c4cc(F)cc(F)c4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C18H15F2N5O4/c1-18(9-24-7-15(25(26)27)22-17(24)29-18)8-23-5-13-14(6-23)28-16(21-13)10-2-11(19)4-12(20)3-10/h2-4,7H,5-6,8-9H2,1H3/t18-/m0/s1
InChIKeyDPZGBPWFKQLWRR-SFHVURJKSA-N
MW403.35 g/mol
LogP2.89
Rot. Bonds4

About (2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole

(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole (PubChem CID 122460204) has the molecular formula C18H15F2N5O4 and a molecular weight of 403.35 g/mol. Its IUPAC name is (2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
PubChem CID122460204
Molecular FormulaC18H15F2N5O4
Molecular Weight403.35 g/mol
Exact Mass403.11
IUPAC Name(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
SMILESC[C@]1(CN2Cc3nc(-c4cc(F)cc(F)c4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C18H15F2N5O4/c1-18(9-24-7-15(25(26)27)22-17(24)29-18)8-23-5-13-14(6-23)28-16(21-13)10-2-11(19)4-12(20)3-10/h2-4,7H,5-6,8-9H2,1H3/t18-/m0/s1
InChIKeyDPZGBPWFKQLWRR-SFHVURJKSA-N
XLogP2.89
TPSA99.46 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.35
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole 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 (2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The IUPAC name of (2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole (CID 122460204) is (2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for (2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for (2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole is C[C@]1(CN2Cc3nc(-c4cc(F)cc(F)c4)oc3C2)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of (2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
The InChIKey is DPZGBPWFKQLWRR-SFHVURJKSA-N. The full InChI is InChI=1S/C18H15F2N5O4/c1-18(9-24-7-15(25(26)27)22-17(24)29-18)8-23-5-13-14(6-23)28-16(21-13)10-2-11(19)4-12(20)3-10/h2-4,7H,5-6,8-9H2,1H3/t18-/m0/s1.
What are the key properties of (2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole?
(2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole has a molecular weight of 403.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(3,5-difluorophenyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl]methyl]-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 122460204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).