1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine

C19H22F3N5O4 — CID 69481149

IUPAC1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine
SMILESCC1(CN2CCC(c3ccc(OC(F)(F)F)cc3)CC2N)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C19H22F3N5O4/c1-18(11-26-9-16(27(28)29)24-17(26)31-18)10-25-7-6-13(8-15(25)23)12-2-4-14(5-3-12)30-19(20,21)22/h2-5,9,13,15H,6-8,10-11,23H2,1H3
InChIKeyGUUVBXMFRJKTPE-UHFFFAOYSA-N
MW441.41 g/mol
LogP3.01
Rot. Bonds5

About 1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine

1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine (PubChem CID 69481149) has the molecular formula C19H22F3N5O4 and a molecular weight of 441.41 g/mol. Its IUPAC name is 1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine.

Molecular Properties

Compound Name1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine
PubChem CID69481149
Molecular FormulaC19H22F3N5O4
Molecular Weight441.41 g/mol
Exact Mass441.16
IUPAC Name1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine
SMILESCC1(CN2CCC(c3ccc(OC(F)(F)F)cc3)CC2N)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C19H22F3N5O4/c1-18(11-26-9-16(27(28)29)24-17(26)31-18)10-25-7-6-13(8-15(25)23)12-2-4-14(5-3-12)30-19(20,21)22/h2-5,9,13,15H,6-8,10-11,23H2,1H3
InChIKeyGUUVBXMFRJKTPE-UHFFFAOYSA-N
XLogP3.01
TPSA108.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.41
LogP ≤ 53.01
H-Bond Donors ≤ 51
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine?
The IUPAC name of 1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine (CID 69481149) is 1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine.
What is the SMILES notation for 1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine?
The canonical SMILES for 1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine is CC1(CN2CCC(c3ccc(OC(F)(F)F)cc3)CC2N)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of 1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine?
The InChIKey is GUUVBXMFRJKTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O4/c1-18(11-26-9-16(27(28)29)24-17(26)31-18)10-25-7-6-13(8-15(25)23)12-2-4-14(5-3-12)30-19(20,21)22/h2-5,9,13,15H,6-8,10-11,23H2,1H3.
What are the key properties of 1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine?
1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine has a molecular weight of 441.41 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl)methyl]-4-[4-(trifluoromethoxy)phenyl]piperidin-2-amine is sourced from PubChem (CID 69481149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).