(2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone

C17H20N2O2S — CID 56819940

IUPAC(2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone
SMILESCC(C)c1oc(-c2ccccc2)nc1C(=O)N1CCSCC1
InChIInChI=1S/C17H20N2O2S/c1-12(2)15-14(17(20)19-8-10-22-11-9-19)18-16(21-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyAKCIIHSRFQLJBK-UHFFFAOYSA-N
MW316.43 g/mol
LogP3.65
Rot. Bonds3

About (2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone

(2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone (PubChem CID 56819940) has the molecular formula C17H20N2O2S and a molecular weight of 316.43 g/mol. Its IUPAC name is (2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone
PubChem CID56819940
Molecular FormulaC17H20N2O2S
Molecular Weight316.43 g/mol
Exact Mass316.12
IUPAC Name(2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone
SMILESCC(C)c1oc(-c2ccccc2)nc1C(=O)N1CCSCC1
InChIInChI=1S/C17H20N2O2S/c1-12(2)15-14(17(20)19-8-10-22-11-9-19)18-16(21-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyAKCIIHSRFQLJBK-UHFFFAOYSA-N
XLogP3.65
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-phenyl-5-propan-2-yl-1,3-oxazole-4-carboxylate
CID 58874245
(5-methyl-2-phenyl-1,3-oxazol-4-yl)-(4-phenylpiperazin-1-yl)methanone
CID 9112756
5-(1-methylsulfonylethyl)-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 104517924
[2-(4-tert-butylphenyl)-5-[4-(dimethylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 142162458
[4-[(2S)-1-methoxypropan-2-yl]piperazin-1-yl]-(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanone
CID 95334340
1-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidine-4-carboxylic acid
CID 75384526
[2-(4-tert-butylphenyl)-5-[4-(methylamino)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 70166259
[5-[4-(dimethylamino)phenyl]-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 70167063
2-(thiomorpholine-4-carbonyl)benzoic acid
CID 14298712
N-[1-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)piperidin-4-yl]methanesulfonamide
CID 55478344
[4-(5-cyclopropyl-2-phenyl-1,3-oxazole-4-carbonyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 86841112
6-(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174861

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone?
The IUPAC name of (2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone (CID 56819940) is (2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone.
What is the SMILES notation for (2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone?
The canonical SMILES for (2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone is CC(C)c1oc(-c2ccccc2)nc1C(=O)N1CCSCC1.
What is the InChIKey of (2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone?
The InChIKey is AKCIIHSRFQLJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2S/c1-12(2)15-14(17(20)19-8-10-22-11-9-19)18-16(21-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of (2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone?
(2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone has a molecular weight of 316.43 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-5-propan-2-yl-1,3-oxazol-4-yl)-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 56819940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).