1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone

C18H20N2O5 — CID 97244053

IUPAC1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone
SMILESO=C(C[C@H]1COCCN1C(=O)c1noc2c1CCCC2)c1ccco1
InChIInChI=1S/C18H20N2O5/c21-14(16-6-3-8-24-16)10-12-11-23-9-7-20(12)18(22)17-13-4-1-2-5-15(13)25-19-17/h3,6,8,12H,1-2,4-5,7,9-11H2/t12-/m0/s1
InChIKeyJZONNZBBIHMYAF-LBPRGKRZSA-N
MW344.37 g/mol
LogP2.26
Rot. Bonds4

About 1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone

1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone (PubChem CID 97244053) has the molecular formula C18H20N2O5 and a molecular weight of 344.37 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone.

Molecular Properties

Compound Name1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone
PubChem CID97244053
Molecular FormulaC18H20N2O5
Molecular Weight344.37 g/mol
Exact Mass344.14
IUPAC Name1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone
SMILESO=C(C[C@H]1COCCN1C(=O)c1noc2c1CCCC2)c1ccco1
InChIInChI=1S/C18H20N2O5/c21-14(16-6-3-8-24-16)10-12-11-23-9-7-20(12)18(22)17-13-4-1-2-5-15(13)25-19-17/h3,6,8,12H,1-2,4-5,7,9-11H2/t12-/m0/s1
InChIKeyJZONNZBBIHMYAF-LBPRGKRZSA-N
XLogP2.26
TPSA85.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(furan-2-yl)-2-[4-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)morpholin-3-yl]ethanone
CID 75389850
1-(furan-2-yl)-2-[(3S)-4-(4-methylthiophene-3-carbonyl)morpholin-3-yl]ethanone
CID 97244002
2-[4-(5-chloropyridine-2-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 75389849
2-[(3S)-4-(3-chloropyridine-4-carbonyl)morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97244027
1-(furan-2-yl)-2-[(3S)-4-(5-methyl-1,2-thiazole-3-carbonyl)morpholin-3-yl]ethanone
CID 164633953
N,N-diethyl-3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxamide
CID 75522328
tert-butyl 3-[2-(furan-2-yl)-2-oxoethyl]morpholine-4-carboxylate
CID 104624433
1-(furan-2-yl)-2-[(3S)-4-(2-propan-2-yl-1,3-thiazole-5-carbonyl)morpholin-3-yl]ethanone
CID 97244050
2-[(3R)-4-[2-(2,4-difluorophenyl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97244048
(2S)-1-[(3R)-3-[2-(furan-2-yl)-2-oxoethyl]morpholin-4-yl]-2-(1-methylpyrazol-4-yl)propan-1-one
CID 97244040
2-[(3R)-4-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]morpholin-3-yl]-1-(furan-2-yl)ethanone
CID 97059723
(4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 136567091

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone?
The IUPAC name of 1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone (CID 97244053) is 1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone.
What is the SMILES notation for 1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone?
The canonical SMILES for 1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone is O=C(C[C@H]1COCCN1C(=O)c1noc2c1CCCC2)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone?
The InChIKey is JZONNZBBIHMYAF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N2O5/c21-14(16-6-3-8-24-16)10-12-11-23-9-7-20(12)18(22)17-13-4-1-2-5-15(13)25-19-17/h3,6,8,12H,1-2,4-5,7,9-11H2/t12-/m0/s1.
What are the key properties of 1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone?
1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone has a molecular weight of 344.37 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone is sourced from PubChem (CID 97244053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).