1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one

C22H22N2O4S — CID 96535302

IUPAC1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(C[C@@H]1COCCN1C(=O)CCc1ncc(-c2ccccc2)o1)c1cccs1
InChIInChI=1S/C22H22N2O4S/c25-18(20-7-4-12-29-20)13-17-15-27-11-10-24(17)22(26)9-8-21-23-14-19(28-21)16-5-2-1-3-6-16/h1-7,12,14,17H,8-11,13,15H2/t17-/m1/s1
InChIKeyMVCOGXMZHURNGD-QGZVFWFLSA-N
MW410.50 g/mol
LogP3.84
Rot. Bonds7

About 1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one

1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one (PubChem CID 96535302) has the molecular formula C22H22N2O4S and a molecular weight of 410.50 g/mol. Its IUPAC name is 1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
PubChem CID96535302
Molecular FormulaC22H22N2O4S
Molecular Weight410.50 g/mol
Exact Mass410.13
IUPAC Name1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
SMILESO=C(C[C@@H]1COCCN1C(=O)CCc1ncc(-c2ccccc2)o1)c1cccs1
InChIInChI=1S/C22H22N2O4S/c25-18(20-7-4-12-29-20)13-17-15-27-11-10-24(17)22(26)9-8-21-23-14-19(28-21)16-5-2-1-3-6-16/h1-7,12,14,17H,8-11,13,15H2/t17-/m1/s1
InChIKeyMVCOGXMZHURNGD-QGZVFWFLSA-N
XLogP3.84
TPSA72.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-methylmorpholin-4-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 56811973
(2S)-1-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119365584
1-[(2R)-4-methyl-2-phenylpiperazin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 37334143
1-phenyl-2-[(3S)-4-(2-thiophen-2-ylacetyl)morpholin-3-yl]ethanone
CID 97320577
1-(2-benzylpyrrolidin-1-yl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propan-1-one
CID 24688231
1-(3-phenylmorpholin-4-yl)-4-thiophen-2-ylbutane-1,4-dione
CID 71993259
2-[(3R)-4-(3-hydroxypropyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 99579369
2-[4-[3-(5-phenyl-1,3-oxazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119247740
2-[4-[3-(5-thiophen-2-ylfuran-2-yl)propanoyl]morpholin-3-yl]acetamide
CID 56908769
2-[(3R)-4-(1H-indole-2-carbonyl)morpholin-3-yl]-1-thiophen-2-ylethanone
CID 95975192
1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one
CID 111560993
2-[4-[(2-methyl-1,2,4-triazol-3-yl)methyl]morpholin-3-yl]-1-thiophen-2-ylethanone
CID 86817699

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one?
The IUPAC name of 1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one (CID 96535302) is 1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one?
The canonical SMILES for 1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one is O=C(C[C@@H]1COCCN1C(=O)CCc1ncc(-c2ccccc2)o1)c1cccs1.
What is the InChIKey of 1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one?
The InChIKey is MVCOGXMZHURNGD-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H22N2O4S/c25-18(20-7-4-12-29-20)13-17-15-27-11-10-24(17)22(26)9-8-21-23-14-19(28-21)16-5-2-1-3-6-16/h1-7,12,14,17H,8-11,13,15H2/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one?
1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one has a molecular weight of 410.50 g/mol, XLogP of 3.84, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(2-oxo-2-thiophen-2-ylethyl)morpholin-4-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propan-1-one is sourced from PubChem (CID 96535302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).