N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide

C15H19N3O3S — CID 124877563

IUPACN-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](c2ccco2)N2CCSCC2)no1
InChIInChI=1S/C15H19N3O3S/c1-11-9-12(17-21-11)15(19)16-10-13(14-3-2-6-20-14)18-4-7-22-8-5-18/h2-3,6,9,13H,4-5,7-8,10H2,1H3,(H,16,19)/t13-/m0/s1
InChIKeyTYKLOTMLFPDJQA-ZDUSSCGKSA-N
MW321.40 g/mol
LogP2.10
Rot. Bonds5

About N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 124877563) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID124877563
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NC[C@@H](c2ccco2)N2CCSCC2)no1
InChIInChI=1S/C15H19N3O3S/c1-11-9-12(17-21-11)15(19)16-10-13(14-3-2-6-20-14)18-4-7-22-8-5-18/h2-3,6,9,13H,4-5,7-8,10H2,1H3,(H,16,19)/t13-/m0/s1
InChIKeyTYKLOTMLFPDJQA-ZDUSSCGKSA-N
XLogP2.10
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide
CID 124727618
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-5-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 26833968
5-(furan-2-yl)-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 110302485
methyl 4-[[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]carbamoyl]benzoate
CID 124727899
5-methyl-N-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)-1,2-oxazole-3-carboxamide
CID 51075751
5-cyclopropyl-N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 95130287
5-cyclopropyl-N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,2-oxazole-3-carboxamide
CID 95130289
N-[(2R)-2-(furan-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 26834379
N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-4-(trifluoromethyl)benzamide
CID 124878574
N-[(2R)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1,3-benzodioxole-5-carboxamide
CID 124873929
5-methyl-N-[(2S)-2-morpholin-4-yl-2-thiophen-2-ylethyl]-1,2-oxazole-3-carboxamide
CID 93482387
N-[(2S)-2-(azepan-1-yl)-2-(furan-2-yl)ethyl]-5-[4-(2-methylpropoxy)phenyl]-1,2-oxazole-3-carboxamide
CID 35582810

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 124877563) is N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCSCC2)no1.
What is the InChIKey of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is TYKLOTMLFPDJQA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-9-12(17-21-11)15(19)16-10-13(14-3-2-6-20-14)18-4-7-22-8-5-18/h2-3,6,9,13H,4-5,7-8,10H2,1H3,(H,16,19)/t13-/m0/s1.
What are the key properties of N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 124877563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).