N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide

C18H23N3O2S — CID 51099887

IUPACN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCc1cc(CN(C)C(=O)C(c2ccccc2)N2CCSCC2)no1
InChIInChI=1S/C18H23N3O2S/c1-14-12-16(19-23-14)13-20(2)18(22)17(15-6-4-3-5-7-15)21-8-10-24-11-9-21/h3-7,12,17H,8-11,13H2,1-2H3
InChIKeyOACPDNDFUKKNRC-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.73
Rot. Bonds5

About N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide

N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide (PubChem CID 51099887) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
PubChem CID51099887
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
SMILESCc1cc(CN(C)C(=O)C(c2ccccc2)N2CCSCC2)no1
InChIInChI=1S/C18H23N3O2S/c1-14-12-16(19-23-14)13-20(2)18(22)17(15-6-4-3-5-7-15)21-8-10-24-11-9-21/h3-7,12,17H,8-11,13H2,1-2H3
InChIKeyOACPDNDFUKKNRC-UHFFFAOYSA-N
XLogP2.73
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-methyl-2-phenyl-N-(pyridin-2-ylmethyl)-2-thiomorpholin-4-ylacetamide
CID 95284461
(2S)-N-(2-amino-2-oxoethyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95293657
3-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-phenylpropanamide
CID 43588867
N-(3-amino-4-methylpentyl)-N-methyl-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 119660216
2-amino-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]propanamide
CID 43588863
(2R)-N-methyl-2-morpholin-4-yl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]-2-pyridin-3-ylacetamide
CID 97274450
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
CID 60753578
2-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]benzoic acid
CID 115923697
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-4-oxo-4-phenylbutanamide
CID 86979897
(2R)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide
CID 95282210
(2S)-2-amino-N,3,3-trimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide;hydrochloride
CID 119729318
(2R)-2-[4-[(1S)-2-(dimethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]-N,N-dimethyl-2-phenylacetamide
CID 30740688

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The IUPAC name of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide (CID 51099887) is N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide is Cc1cc(CN(C)C(=O)C(c2ccccc2)N2CCSCC2)no1.
What is the InChIKey of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
The InChIKey is OACPDNDFUKKNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14-12-16(19-23-14)13-20(2)18(22)17(15-6-4-3-5-7-15)21-8-10-24-11-9-21/h3-7,12,17H,8-11,13H2,1-2H3.
What are the key properties of N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide?
N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide has a molecular weight of 345.47 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-2-phenyl-2-thiomorpholin-4-ylacetamide is sourced from PubChem (CID 51099887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).