N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide

C13H15N3O3 — CID 154835530

IUPACN-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESCOC[C@@H](C)NC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C13H15N3O3/c1-9(7-18-2)15-13(17)11-5-3-10(4-6-11)12-14-8-19-16-12/h3-6,8-9H,7H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyRVPPEPIQJHABTL-SECBINFHSA-N
MW261.28 g/mol
LogP1.50
Rot. Bonds5

About N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide

N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide (PubChem CID 154835530) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
PubChem CID154835530
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
SMILESCOC[C@@H](C)NC(=O)c1ccc(-c2ncon2)cc1
InChIInChI=1S/C13H15N3O3/c1-9(7-18-2)15-13(17)11-5-3-10(4-6-11)12-14-8-19-16-12/h3-6,8-9H,7H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyRVPPEPIQJHABTL-SECBINFHSA-N
XLogP1.50
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,4-N-bis[(2R)-1-methoxypropan-2-yl]benzene-1,4-dicarboxamide
CID 25476067
N-[(2R)-1-(dipropylamino)propan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 162647562
N-[(2S)-1-methoxypropan-2-yl]-4-pyrimidin-5-ylbenzamide
CID 126441503
4-(1,2,4-oxadiazol-3-yl)-N-[(2S)-4-oxo-4-thiophen-2-ylbutan-2-yl]benzamide
CID 97250958
4-(dimethylamino)-N-(1-methoxypropan-2-yl)benzamide
CID 2904147
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119629350
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119629349
N-(1-methoxypropan-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 18289547
N-(1-hydroxy-1-phenylpentan-2-yl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 166220419
N-[(2R)-1-methoxypropan-2-yl]-3,4-dimethylbenzamide
CID 5390617
N-(1-methoxypropan-2-yl)-4-pyrrol-1-ylbenzamide
CID 18161077
4-benzamido-N-(1-methoxypropan-2-yl)benzamide
CID 17153292

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide (CID 154835530) is N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide is COC[C@@H](C)NC(=O)c1ccc(-c2ncon2)cc1.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
The InChIKey is RVPPEPIQJHABTL-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9(7-18-2)15-13(17)11-5-3-10(4-6-11)12-14-8-19-16-12/h3-6,8-9H,7H2,1-2H3,(H,15,17)/t9-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide?
N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide has a molecular weight of 261.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-4-(1,2,4-oxadiazol-3-yl)benzamide is sourced from PubChem (CID 154835530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).