(2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide

C18H20FN3O3 — CID 97282303

IUPAC(2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cccnc2Oc2ccccc2F)CCCO1
InChIInChI=1S/C18H20FN3O3/c1-13-12-22(10-5-11-24-13)18(23)21-15-7-4-9-20-17(15)25-16-8-3-2-6-14(16)19/h2-4,6-9,13H,5,10-12H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyOGPWJDQYNIGSEA-CYBMUJFWSA-N
MW345.37 g/mol
LogP3.66
Rot. Bonds3

About (2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide

(2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide (PubChem CID 97282303) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is (2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide
PubChem CID97282303
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name(2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide
SMILESC[C@@H]1CN(C(=O)Nc2cccnc2Oc2ccccc2F)CCCO1
InChIInChI=1S/C18H20FN3O3/c1-13-12-22(10-5-11-24-13)18(23)21-15-7-4-9-20-17(15)25-16-8-3-2-6-14(16)19/h2-4,6-9,13H,5,10-12H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyOGPWJDQYNIGSEA-CYBMUJFWSA-N
XLogP3.66
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide 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

(1R,5S)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 118793687
4-fluoro-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]benzoic acid
CID 62966579
(2-fluorophenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62972888
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 155910918
(2R)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide
CID 129399292
(2S)-N-[5-(difluoromethoxy)quinolin-8-yl]-2-methylmorpholine-4-carboxamide
CID 129399293
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94028765
N-(2-fluorophenyl)-3-[[3-(piperidine-1-carbonyl)-2-pyridinyl]oxy]pyrrolidine-1-carboxamide
CID 91914043
N-[2-(2-fluorophenoxy)-3-pyridinyl]thiophene-2-carboxamide
CID 155912342
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
(2-hydrazinyl-3-pyridinyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62967501

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide?
The IUPAC name of (2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide (CID 97282303) is (2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide.
What is the SMILES notation for (2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide?
The canonical SMILES for (2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide is C[C@@H]1CN(C(=O)Nc2cccnc2Oc2ccccc2F)CCCO1.
What is the InChIKey of (2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide?
The InChIKey is OGPWJDQYNIGSEA-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-13-12-22(10-5-11-24-13)18(23)21-15-7-4-9-20-17(15)25-16-8-3-2-6-14(16)19/h2-4,6-9,13H,5,10-12H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of (2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide?
(2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-fluorophenoxy)-3-pyridinyl]-2-methyl-1,4-oxazepane-4-carboxamide is sourced from PubChem (CID 97282303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).