2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide

C20H20FN3O3 — CID 42512160

IUPAC2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCc1cccc(C[C@H](C)NC(=O)c2coc(COc3ccc(F)cc3)n2)n1
InChIInChI=1S/C20H20FN3O3/c1-13-4-3-5-16(22-13)10-14(2)23-20(25)18-11-27-19(24-18)12-26-17-8-6-15(21)7-9-17/h3-9,11,14H,10,12H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyBJMDFSQBXBMVON-AWEZNQCLSA-N
MW369.40 g/mol
LogP3.46
Rot. Bonds7

About 2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide

2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide (PubChem CID 42512160) has the molecular formula C20H20FN3O3 and a molecular weight of 369.40 g/mol. Its IUPAC name is 2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide
PubChem CID42512160
Molecular FormulaC20H20FN3O3
Molecular Weight369.40 g/mol
Exact Mass369.15
IUPAC Name2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide
SMILESCc1cccc(C[C@H](C)NC(=O)c2coc(COc3ccc(F)cc3)n2)n1
InChIInChI=1S/C20H20FN3O3/c1-13-4-3-5-16(22-13)10-14(2)23-20(25)18-11-27-19(24-18)12-26-17-8-6-15(21)7-9-17/h3-9,11,14H,10,12H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyBJMDFSQBXBMVON-AWEZNQCLSA-N
XLogP3.46
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.40
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 45236623
2-[(4-methoxyphenoxy)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42526219
N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45209690
2-[(3-fluorophenoxy)methyl]-N-[(1R)-1-(2H-tetrazol-5-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 95205239
N-[(2S)-1-hydroxybutan-2-yl]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56709380
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 29149512
5-(methoxymethyl)-N-[(2R)-1-(6-methyl-2-pyridinyl)propan-2-yl]furan-2-carboxamide
CID 124751971
5-[(4-fluorophenoxy)methyl]-N-[(6-methyl-2-pyridinyl)methyl]furan-2-carboxamide
CID 87041338
N-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26392971
2-[(2,3-difluorophenoxy)methyl]-N-[(1R)-1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 136776053
N-[1-(5-amino-1,3,4-thiadiazol-2-yl)ethyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 56757502
N-[(2S)-butan-2-yl]-2-[[(4-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]-1,3-oxazole-4-carboxamide
CID 93097615

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide (CID 42512160) is 2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide is Cc1cccc(C[C@H](C)NC(=O)c2coc(COc3ccc(F)cc3)n2)n1.
What is the InChIKey of 2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is BJMDFSQBXBMVON-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H20FN3O3/c1-13-4-3-5-16(22-13)10-14(2)23-20(25)18-11-27-19(24-18)12-26-17-8-6-15(21)7-9-17/h3-9,11,14H,10,12H2,1-2H3,(H,23,25)/t14-/m0/s1.
What are the key properties of 2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide?
2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 369.40 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42512160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).