(2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide

C15H21N5O4S — CID 9375100

IUPAC(2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N(CCOC)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H21N5O4S/c1-10(13(21)17-15(22)16-2)20(6-7-23-3)9-12-18-19-14(24-12)11-5-4-8-25-11/h4-5,8,10H,6-7,9H2,1-3H3,(H2,16,17,21,22)/t10-/m1/s1
InChIKeyLFLGHJPQUWKUPY-SNVBAGLBSA-N
MW367.43 g/mol
LogP1.09
Rot. Bonds8

About (2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide

(2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide (PubChem CID 9375100) has the molecular formula C15H21N5O4S and a molecular weight of 367.43 g/mol. Its IUPAC name is (2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide
PubChem CID9375100
Molecular FormulaC15H21N5O4S
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC Name(2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)[C@@H](C)N(CCOC)Cc1nnc(-c2cccs2)o1
InChIInChI=1S/C15H21N5O4S/c1-10(13(21)17-15(22)16-2)20(6-7-23-3)9-12-18-19-14(24-12)11-5-4-8-25-11/h4-5,8,10H,6-7,9H2,1-3H3,(H2,16,17,21,22)/t10-/m1/s1
InChIKeyLFLGHJPQUWKUPY-SNVBAGLBSA-N
XLogP1.09
TPSA109.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2R)-N-ethyl-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanamide
CID 8689926
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S)-1-phenylethyl]acetamide
CID 9375346
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1R)-1-phenylethyl]acetamide
CID 9375353
methyl 2-methyl-3-[methyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoate
CID 62011302
3-ethyl-1-(2-methoxyethyl)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiourea
CID 8678585
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 9375414
2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-[(1S,2S)-2-methylcyclohexyl]acetamide
CID 8711077
3-benzyl-1-(2-methoxyethyl)-1-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]thiourea
CID 8678589
2-methoxyethyl-[(2S)-1-oxo-1-(2-thiophen-2-ylethylamino)propan-2-yl]-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]azanium
CID 8690245
7-[[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9375057
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-[2-oxo-2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]ethyl]amino]acetamide
CID 24534471
ethyl 2-[propyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]acetate
CID 60673442

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of (2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide (CID 9375100) is (2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for (2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for (2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)[C@@H](C)N(CCOC)Cc1nnc(-c2cccs2)o1.
What is the InChIKey of (2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is LFLGHJPQUWKUPY-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H21N5O4S/c1-10(13(21)17-15(22)16-2)20(6-7-23-3)9-12-18-19-14(24-12)11-5-4-8-25-11/h4-5,8,10H,6-7,9H2,1-3H3,(H2,16,17,21,22)/t10-/m1/s1.
What are the key properties of (2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide?
(2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 367.43 g/mol, XLogP of 1.09, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-methoxyethyl-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 9375100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).