4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide

C16H22N4O3 — CID 91760035

IUPAC4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(N(C)CCO)cc1)c1nc(C)no1
InChIInChI=1S/C16H22N4O3/c1-4-14(16-17-11(2)19-23-16)18-15(22)12-5-7-13(8-6-12)20(3)9-10-21/h5-8,14,21H,4,9-10H2,1-3H3,(H,18,22)
InChIKeyLLCMHIGJAFUNAY-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.69
Rot. Bonds7

About 4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide

4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (PubChem CID 91760035) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.

Molecular Properties

Compound Name4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
PubChem CID91760035
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Name4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
SMILESCCC(NC(=O)c1ccc(N(C)CCO)cc1)c1nc(C)no1
InChIInChI=1S/C16H22N4O3/c1-4-14(16-17-11(2)19-23-16)18-15(22)12-5-7-13(8-6-12)20(3)9-10-21/h5-8,14,21H,4,9-10H2,1-3H3,(H,18,22)
InChIKeyLLCMHIGJAFUNAY-UHFFFAOYSA-N
XLogP1.69
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-hydroxy-3-methoxyphenyl)-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 126448858
3-(5-acetyl-2-pyridinyl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 125448468
3-(4,5-dimethyl-1,3-thiazol-2-yl)-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 125171592
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 91769195
1-N,4-N-bis[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]benzene-1,4-dicarboxamide
CID 166219715
4-ethyl-2-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazole-5-carboxamide
CID 118774250
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-(2-methylprop-2-enoxy)benzamide
CID 46993244
N-[2-(N-methylanilino)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 24665771
4-chloro-1,5-dimethyl-N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazole-3-carboxamide
CID 125165236
1-[3-(dimethylsulfamoylamino)phenyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 72922256
4-(dimethylamino)-N-[1-(4-methylphenyl)propyl]benzamide
CID 24543534
ethyl 4-[2-hydroxyethyl(methyl)amino]benzoate
CID 10242689

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The IUPAC name of 4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide (CID 91760035) is 4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide.
What is the SMILES notation for 4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The canonical SMILES for 4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is CCC(NC(=O)c1ccc(N(C)CCO)cc1)c1nc(C)no1.
What is the InChIKey of 4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
The InChIKey is LLCMHIGJAFUNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-14(16-17-11(2)19-23-16)18-15(22)12-5-7-13(8-6-12)20(3)9-10-21/h5-8,14,21H,4,9-10H2,1-3H3,(H,18,22).
What are the key properties of 4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide?
4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide has a molecular weight of 318.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxyethyl(methyl)amino]-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]benzamide is sourced from PubChem (CID 91760035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).