(2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate

C17H18FN3O6 — CID 143134052

IUPAC(2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OCC(=O)N1CCOCC1)C(=O)c1nc2ccc(F)cc2o1
InChIInChI=1S/C17H18FN3O6/c1-10(15(23)16-20-12-3-2-11(18)8-13(12)27-16)19-17(24)26-9-14(22)21-4-6-25-7-5-21/h2-3,8,10H,4-7,9H2,1H3,(H,19,24)
InChIKeyWXCFRCSVIPFIBQ-UHFFFAOYSA-N
MW379.34 g/mol
LogP1.12
Rot. Bonds5

About (2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate

(2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate (PubChem CID 143134052) has the molecular formula C17H18FN3O6 and a molecular weight of 379.34 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
PubChem CID143134052
Molecular FormulaC17H18FN3O6
Molecular Weight379.34 g/mol
Exact Mass379.12
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
SMILESCC(NC(=O)OCC(=O)N1CCOCC1)C(=O)c1nc2ccc(F)cc2o1
InChIInChI=1S/C17H18FN3O6/c1-10(15(23)16-20-12-3-2-11(18)8-13(12)27-16)19-17(24)26-9-14(22)21-4-6-25-7-5-21/h2-3,8,10H,4-7,9H2,1H3,(H,19,24)
InChIKeyWXCFRCSVIPFIBQ-UHFFFAOYSA-N
XLogP1.12
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S)-3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl] N-[(2S)-1-(5-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
CID 11598086
(3-cyclohexyl-1-morpholin-4-yl-1-oxopropan-2-yl) N-[1-(1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate
CID 67301124
ethane;methylcyclopentane;methyl N-(4-fluorophenyl)-3-[(2-morpholin-4-yl-2-oxoethoxy)carbonylamino]-2-oxobutanimidate
CID 143134053
(6-fluoro-1,3-benzoxazol-2-yl)-(4-methylpiperazin-1-yl)methanone
CID 10038393
2-[1-(6-fluoro-1,3-benzoxazol-2-yl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 172901359
2-[2-[(1R)-1-aminoethyl]-5-fluorophenoxy]-1-morpholin-4-ylethanone
CID 63368114
2-[5-fluoro-2-[(1R)-1-hydroxyethyl]phenoxy]-1-morpholin-4-ylethanone
CID 63365946
N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxopentan-2-yl]-4,4,6-trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanamide
CID 10323687
2-(2,4-difluorophenoxy)-1-morpholin-4-ylethanone
CID 17190869
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-morpholin-4-ylethanone
CID 81348384
[(1S)-2-morpholin-4-yl-2-oxo-1-phenylethyl] N-[(2S)-1-(1,3-benzoxazol-2-yl)-1-oxobutan-2-yl]carbamate
CID 11612144
6-fluoro-N-(2-morpholin-4-yl-2-oxoethyl)quinoline-3-carboxamide
CID 146126137

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate (CID 143134052) is (2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate is CC(NC(=O)OCC(=O)N1CCOCC1)C(=O)c1nc2ccc(F)cc2o1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate?
The InChIKey is WXCFRCSVIPFIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O6/c1-10(15(23)16-20-12-3-2-11(18)8-13(12)27-16)19-17(24)26-9-14(22)21-4-6-25-7-5-21/h2-3,8,10H,4-7,9H2,1H3,(H,19,24).
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate?
(2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate has a molecular weight of 379.34 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) N-[1-(6-fluoro-1,3-benzoxazol-2-yl)-1-oxopropan-2-yl]carbamate is sourced from PubChem (CID 143134052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).