N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide

C18H26N4O3 — CID 111022244

IUPACN-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCCC(CO)NC(=O)c1ccc(NCc2nc(CC(C)C)no2)cc1
InChIInChI=1S/C18H26N4O3/c1-4-14(11-23)20-18(24)13-5-7-15(8-6-13)19-10-17-21-16(22-25-17)9-12(2)3/h5-8,12,14,19,23H,4,9-11H2,1-3H3,(H,20,24)
InChIKeyHBPNBLKCHSJUIS-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.38
Rot. Bonds9

About N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide

N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide (PubChem CID 111022244) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
PubChem CID111022244
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
SMILESCCC(CO)NC(=O)c1ccc(NCc2nc(CC(C)C)no2)cc1
InChIInChI=1S/C18H26N4O3/c1-4-14(11-23)20-18(24)13-5-7-15(8-6-13)19-10-17-21-16(22-25-17)9-12(2)3/h5-8,12,14,19,23H,4,9-11H2,1-3H3,(H,20,24)
InChIKeyHBPNBLKCHSJUIS-UHFFFAOYSA-N
XLogP2.38
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide (CID 111022244) is N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide is CCC(CO)NC(=O)c1ccc(NCc2nc(CC(C)C)no2)cc1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
The InChIKey is HBPNBLKCHSJUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-14(11-23)20-18(24)13-5-7-15(8-6-13)19-10-17-21-16(22-25-17)9-12(2)3/h5-8,12,14,19,23H,4,9-11H2,1-3H3,(H,20,24).
What are the key properties of N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide?
N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide has a molecular weight of 346.43 g/mol, XLogP of 2.38, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide is sourced from PubChem (CID 111022244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).