[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate

C20H23F2N3O5 — CID 18279977

IUPAC[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCC(OC(=O)CCc1ncc(-c2c(F)cccc2F)o1)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C20H23F2N3O5/c1-11(18(27)24-19(28)25-20(2,3)4)29-16(26)9-8-15-23-10-14(30-15)17-12(21)6-5-7-13(17)22/h5-7,10-11H,8-9H2,1-4H3,(H2,24,25,27,28)
InChIKeyIWJVHHQVQFRGGI-UHFFFAOYSA-N
MW423.42 g/mol
LogP3.11
Rot. Bonds6

About [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate

[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate (PubChem CID 18279977) has the molecular formula C20H23F2N3O5 and a molecular weight of 423.42 g/mol. Its IUPAC name is [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate.

Molecular Properties

Compound Name[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
PubChem CID18279977
Molecular FormulaC20H23F2N3O5
Molecular Weight423.42 g/mol
Exact Mass423.16
IUPAC Name[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
SMILESCC(OC(=O)CCc1ncc(-c2c(F)cccc2F)o1)C(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C20H23F2N3O5/c1-11(18(27)24-19(28)25-20(2,3)4)29-16(26)9-8-15-23-10-14(30-15)17-12(21)6-5-7-13(17)22/h5-7,10-11H,8-9H2,1-4H3,(H2,24,25,27,28)
InChIKeyIWJVHHQVQFRGGI-UHFFFAOYSA-N
XLogP3.11
TPSA110.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.42
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 18286036
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46695283
(2-methoxy-2-oxo-1-phenylethyl) 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 43051300
[1-(2,6-difluoroanilino)-1-oxopropan-2-yl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 55508959
[2-(cyclopropylamino)-2-oxo-1-phenylethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46687967
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-[2,6-di(propan-2-yl)phenyl]propanamide
CID 46688995
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate
CID 46625746
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 4-phenoxybutanoate
CID 46629603
[1-(3-methylanilino)-1-oxopropan-2-yl] 3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 46695521
3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]-N-(1-pyridin-4-ylethyl)propanamide
CID 46418774
[2-(6-methylheptan-2-ylamino)-2-oxoethyl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate
CID 24633881
[(2R)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-(2,3-dimethoxyphenyl)propanoate
CID 9309290

Frequently Asked Questions

What is the IUPAC name of [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The IUPAC name of [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate (CID 18279977) is [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate.
What is the SMILES notation for [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The canonical SMILES for [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate is CC(OC(=O)CCc1ncc(-c2c(F)cccc2F)o1)C(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
The InChIKey is IWJVHHQVQFRGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F2N3O5/c1-11(18(27)24-19(28)25-20(2,3)4)29-16(26)9-8-15-23-10-14(30-15)17-12(21)6-5-7-13(17)22/h5-7,10-11H,8-9H2,1-4H3,(H2,24,25,27,28).
What are the key properties of [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate?
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate has a molecular weight of 423.42 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 3-[5-(2,6-difluorophenyl)-1,3-oxazol-2-yl]propanoate is sourced from PubChem (CID 18279977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).