(2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole

C21H24N4O5 — CID 122484663

IUPAC(2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
SMILESCCCCCc1cc(-c2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)no1
InChIInChI=1S/C21H24N4O5/c1-3-4-5-6-17-11-18(23-30-17)15-7-9-16(10-8-15)28-14-21(2)13-24-12-19(25(26)27)22-20(24)29-21/h7-12H,3-6,13-14H2,1-2H3/t21-/m1/s1
InChIKeyVKKSJRMVSYPZFC-OAQYLSRUSA-N
MW412.45 g/mol
LogP4.41
Rot. Bonds9

About (2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole

(2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole (PubChem CID 122484663) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is (2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name(2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
PubChem CID122484663
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC Name(2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
SMILESCCCCCc1cc(-c2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)no1
InChIInChI=1S/C21H24N4O5/c1-3-4-5-6-17-11-18(23-30-17)15-7-9-16(10-8-15)28-14-21(2)13-24-12-19(25(26)27)22-20(24)29-21/h7-12H,3-6,13-14H2,1-2H3/t21-/m1/s1
InChIKeyVKKSJRMVSYPZFC-OAQYLSRUSA-N
XLogP4.41
TPSA105.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-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

Related Compounds

tributyl-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]stannane
CID 54771050
4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methoxy]benzaldehyde
CID 87531145
(2S)-2-hexyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
CID 155925321
4-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]-1,4-thiazinane 1-oxide
CID 6483576
1-(4-tert-butylphenyl)-3-[4-[[(2R)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methoxy]phenyl]urea
CID 127040774
2-ethyl-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazole
CID 173498527
4-[2-chloro-4-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methoxy]phenyl]piperazine-1-carboxylic acid
CID 69481197
2-methyl-6-nitro-2-[(4-phenylmethoxyphenyl)methoxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 50913633
2-methyl-6-nitro-2-[[5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]oxymethyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 50913333
(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl methanesulfonate
CID 23081519
(2R)-2-methyl-6-nitro-2-[[4-[4-[[6-(trifluoromethyl)-1-benzofuran-2-yl]methyl]piperazin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 5278881
(2R)-2-methyl-6-nitro-2-[[4-[4-[[5-(trifluoromethoxy)-1-benzofuran-2-yl]methyl]piperazin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
CID 5278883

Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole?
The IUPAC name of (2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole (CID 122484663) is (2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for (2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for (2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole is CCCCCc1cc(-c2ccc(OC[C@@]3(C)Cn4cc([N+](=O)[O-])nc4O3)cc2)no1.
What is the InChIKey of (2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole?
The InChIKey is VKKSJRMVSYPZFC-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-3-4-5-6-17-11-18(23-30-17)15-7-9-16(10-8-15)28-14-21(2)13-24-12-19(25(26)27)22-20(24)29-21/h7-12H,3-6,13-14H2,1-2H3/t21-/m1/s1.
What are the key properties of (2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole?
(2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole has a molecular weight of 412.45 g/mol, XLogP of 4.41, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-6-nitro-2-[[4-(5-pentyl-1,2-oxazol-3-yl)phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 122484663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).