2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide

C14H18N4O2 — CID 94812590

IUPAC2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide
SMILESCc1nnc([C@H](C)N(C)CC(=O)Nc2ccccc2)o1
InChIInChI=1S/C14H18N4O2/c1-10(14-17-16-11(2)20-14)18(3)9-13(19)15-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,15,19)/t10-/m0/s1
InChIKeyNLEZAJJJQBOVJE-JTQLQIEISA-N
MW274.32 g/mol
LogP2.01
Rot. Bonds5

About 2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide

2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide (PubChem CID 94812590) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide.

Molecular Properties

Compound Name2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide
PubChem CID94812590
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide
SMILESCc1nnc([C@H](C)N(C)CC(=O)Nc2ccccc2)o1
InChIInChI=1S/C14H18N4O2/c1-10(14-17-16-11(2)20-14)18(3)9-13(19)15-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,15,19)/t10-/m0/s1
InChIKeyNLEZAJJJQBOVJE-JTQLQIEISA-N
XLogP2.01
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl(1-phenylethyl)amino]-N-phenylacetamide
CID 47109719
N-(3-methoxyphenyl)-2-[methyl-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]amino]acetamide
CID 8556130
N-(4-bromo-2-methylphenyl)-2-[methyl-[1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]amino]acetamide
CID 55387396
2-[benzhydryl(methyl)amino]-N-phenylacetamide
CID 8730173
N-(4-chlorophenyl)-2-[[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-methylamino]acetamide
CID 8816381
N-(4-bromophenyl)-3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanamide
CID 110421688
2-[(2-anilino-2-oxoethyl)-(2-methylpropyl)amino]-N-phenylacetamide
CID 17437841
2-[methyl(1-methylsulfinylpropan-2-yl)amino]-N-phenylacetamide
CID 75521176
methyl 4-[[3-(5-methyl-1,3,4-oxadiazol-2-yl)-3-phenylpropanoyl]amino]benzoate
CID 110424323
2-[(2-anilino-2-oxoethyl)-methylamino]-N-[(2-methylphenyl)methyl]propanamide
CID 86979728
N-(4-cyanophenyl)-2-[methyl-[(1R)-1-phenylethyl]amino]acetamide
CID 41176479
N-(2-ethylphenyl)-2-[methyl-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]amino]acetamide
CID 18197537

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide?
The IUPAC name of 2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide (CID 94812590) is 2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide.
What is the SMILES notation for 2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide?
The canonical SMILES for 2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide is Cc1nnc([C@H](C)N(C)CC(=O)Nc2ccccc2)o1.
What is the InChIKey of 2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide?
The InChIKey is NLEZAJJJQBOVJE-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N4O2/c1-10(14-17-16-11(2)20-14)18(3)9-13(19)15-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,15,19)/t10-/m0/s1.
What are the key properties of 2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide?
2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide has a molecular weight of 274.32 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]-N-phenylacetamide is sourced from PubChem (CID 94812590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).