2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide

C19H24FN3O3 — CID 156604923

IUPAC2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
SMILESCc1cc(CC2COCC2NC(=O)CN(C)Cc2ccccc2F)on1
InChIInChI=1S/C19H24FN3O3/c1-13-7-16(26-22-13)8-15-11-25-12-18(15)21-19(24)10-23(2)9-14-5-3-4-6-17(14)20/h3-7,15,18H,8-12H2,1-2H3,(H,21,24)
InChIKeyNRHNNQQTQZIUPT-UHFFFAOYSA-N
MW361.42 g/mol
LogP1.93
Rot. Bonds7

About 2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide

2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide (PubChem CID 156604923) has the molecular formula C19H24FN3O3 and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide.

Molecular Properties

Compound Name2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
PubChem CID156604923
Molecular FormulaC19H24FN3O3
Molecular Weight361.42 g/mol
Exact Mass361.18
IUPAC Name2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide
SMILESCc1cc(CC2COCC2NC(=O)CN(C)Cc2ccccc2F)on1
InChIInChI=1S/C19H24FN3O3/c1-13-7-16(26-22-13)8-15-11-25-12-18(15)21-19(24)10-23(2)9-14-5-3-4-6-17(14)20/h3-7,15,18H,8-12H2,1-2H3,(H,21,24)
InChIKeyNRHNNQQTQZIUPT-UHFFFAOYSA-N
XLogP1.93
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide?
The IUPAC name of 2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide (CID 156604923) is 2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide.
What is the SMILES notation for 2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide?
The canonical SMILES for 2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide is Cc1cc(CC2COCC2NC(=O)CN(C)Cc2ccccc2F)on1.
What is the InChIKey of 2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide?
The InChIKey is NRHNNQQTQZIUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O3/c1-13-7-16(26-22-13)8-15-11-25-12-18(15)21-19(24)10-23(2)9-14-5-3-4-6-17(14)20/h3-7,15,18H,8-12H2,1-2H3,(H,21,24).
What are the key properties of 2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide?
2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide has a molecular weight of 361.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)methyl-methylamino]-N-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]oxolan-3-yl]acetamide is sourced from PubChem (CID 156604923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).