ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate

C22H22FN3O4 — CID 100633701

IUPACethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)[C@@H](Cc1ccccn1)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H22FN3O4/c1-2-29-22(28)18(13-17-5-3-4-12-24-17)26-20(27)10-11-21-25-14-19(30-21)15-6-8-16(23)9-7-15/h3-9,12,14,18H,2,10-11,13H2,1H3,(H,26,27)/t18-/m1/s1
InChIKeyMTMVTBVBXSEWNE-GOSISDBHSA-N
MW411.43 g/mol
LogP3.10
Rot. Bonds9

About ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate

ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate (PubChem CID 100633701) has the molecular formula C22H22FN3O4 and a molecular weight of 411.43 g/mol. Its IUPAC name is ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate
PubChem CID100633701
Molecular FormulaC22H22FN3O4
Molecular Weight411.43 g/mol
Exact Mass411.16
IUPAC Nameethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate
SMILESCCOC(=O)[C@@H](Cc1ccccn1)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1
InChIInChI=1S/C22H22FN3O4/c1-2-29-22(28)18(13-17-5-3-4-12-24-17)26-20(27)10-11-21-25-14-19(30-21)15-6-8-16(23)9-7-15/h3-9,12,14,18H,2,10-11,13H2,1H3,(H,26,27)/t18-/m1/s1
InChIKeyMTMVTBVBXSEWNE-GOSISDBHSA-N
XLogP3.10
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-phenylpropanamide
CID 48731838
ethyl 2-phenyl-2-[3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanoylamino]acetate
CID 108798152
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(3-methyl-1-phenylbutyl)propanamide
CID 46570487
N-[1-(4-fluorophenyl)-2-methylpropyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 46691167
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-methylphenyl)propanamide
CID 16590316
N-[(2S)-1-aminopropan-2-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120505530
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 51312428
ethyl 2-[(4-phenylbenzoyl)amino]-3-pyridin-2-ylpropanoate
CID 119035446
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 33373655
3-[5-[4-(2-methylpropyl)phenyl]-1,3-oxazol-2-yl]-N-(1-pyridin-2-ylethyl)propanamide
CID 24645551
N-ethoxy-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 51316585
N-[(4-methylphenyl)-phenylmethyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16599378

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate?
The IUPAC name of ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate (CID 100633701) is ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate.
What is the SMILES notation for ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate?
The canonical SMILES for ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate is CCOC(=O)[C@@H](Cc1ccccn1)NC(=O)CCc1ncc(-c2ccc(F)cc2)o1.
What is the InChIKey of ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate?
The InChIKey is MTMVTBVBXSEWNE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H22FN3O4/c1-2-29-22(28)18(13-17-5-3-4-12-24-17)26-20(27)10-11-21-25-14-19(30-21)15-6-8-16(23)9-7-15/h3-9,12,14,18H,2,10-11,13H2,1H3,(H,26,27)/t18-/m1/s1.
What are the key properties of ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate?
ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate has a molecular weight of 411.43 g/mol, XLogP of 3.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoylamino]-3-pyridin-2-ylpropanoate is sourced from PubChem (CID 100633701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).