N-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine

C15H18N4O3 — CID 69481667

IUPACN-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine
SMILESCN(Cc1ccccc1)C[C@@]1(C)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C15H18N4O3/c1-15(10-17(2)8-12-6-4-3-5-7-12)11-18-9-13(19(20)21)16-14(18)22-15/h3-7,9H,8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyYLRKSZZYZIYRCZ-HNNXBMFYSA-N
MW302.33 g/mol
LogP2.07
Rot. Bonds5

About N-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine

N-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine (PubChem CID 69481667) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine
PubChem CID69481667
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine
SMILESCN(Cc1ccccc1)C[C@@]1(C)Cn2cc([N+](=O)[O-])nc2O1
InChIInChI=1S/C15H18N4O3/c1-15(10-17(2)8-12-6-4-3-5-7-12)11-18-9-13(19(20)21)16-14(18)22-15/h3-7,9H,8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyYLRKSZZYZIYRCZ-HNNXBMFYSA-N
XLogP2.07
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 N-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine?
The IUPAC name of N-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine (CID 69481667) is N-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine.
What is the SMILES notation for N-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine?
The canonical SMILES for N-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine is CN(Cc1ccccc1)C[C@@]1(C)Cn2cc([N+](=O)[O-])nc2O1.
What is the InChIKey of N-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine?
The InChIKey is YLRKSZZYZIYRCZ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-15(10-17(2)8-12-6-4-3-5-7-12)11-18-9-13(19(20)21)16-14(18)22-15/h3-7,9H,8,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of N-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine?
N-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine has a molecular weight of 302.33 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(2S)-2-methyl-6-nitro-3H-imidazo[2,1-b][1,3]oxazol-2-yl]methyl]-1-phenylmethanamine is sourced from PubChem (CID 69481667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).