(2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide

C12H22N4O2 — CID 91840785

IUPAC(2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCN[C@@H](C)C(=O)N(C)CCc1noc(C(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-8(2)11-14-10(15-18-11)6-7-16(5)12(17)9(3)13-4/h8-9,13H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyVMJXOUYMQARSNH-VIFPVBQESA-N
MW254.33 g/mol
LogP0.80
Rot. Bonds6

About (2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide

(2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (PubChem CID 91840785) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
PubChem CID91840785
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name(2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCN[C@@H](C)C(=O)N(C)CCc1noc(C(C)C)n1
InChIInChI=1S/C12H22N4O2/c1-8(2)11-14-10(15-18-11)6-7-16(5)12(17)9(3)13-4/h8-9,13H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyVMJXOUYMQARSNH-VIFPVBQESA-N
XLogP0.80
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-hydroxy-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide;hydrochloride
CID 154901668
5-chloro-N-methyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2-carboxamide
CID 56865070
N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide
CID 119066636
(2R)-N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide
CID 126438337
3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 137150739
1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 126439974
N,2-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 119069461
N,2,8-trimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]quinoline-4-carboxamide
CID 46982276
1-methyl-3-[[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]methyl]-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea
CID 126434571
N-methyl-2-[(2S)-1-methyl-3-oxopiperazin-2-yl]-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
CID 95724287
5-methoxy-N,3-dimethyl-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-indole-2-carboxamide
CID 50967806
methyl 6-amino-2-[methyl-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]amino]pyrimidine-4-carboxylate
CID 154568508

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The IUPAC name of (2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (CID 91840785) is (2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.
What is the SMILES notation for (2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The canonical SMILES for (2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is CN[C@@H](C)C(=O)N(C)CCc1noc(C(C)C)n1.
What is the InChIKey of (2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The InChIKey is VMJXOUYMQARSNH-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N4O2/c1-8(2)11-14-10(15-18-11)6-7-16(5)12(17)9(3)13-4/h8-9,13H,6-7H2,1-5H3/t9-/m0/s1.
What are the key properties of (2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
(2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide has a molecular weight of 254.33 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-(methylamino)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 91840785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).