4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

C19H21N5O3 — CID 121021939

IUPAC4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nc(C2CCOCC2)no1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H21N5O3/c25-19(16-3-1-14(2-4-16)12-24-8-7-20-13-24)21-11-17-22-18(23-27-17)15-5-9-26-10-6-15/h1-4,7-8,13,15H,5-6,9-12H2,(H,21,25)
InChIKeyGIGJPTCBFAXANN-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.14
Rot. Bonds6

About 4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide

4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (PubChem CID 121021939) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
PubChem CID121021939
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide
SMILESO=C(NCc1nc(C2CCOCC2)no1)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H21N5O3/c25-19(16-3-1-14(2-4-16)12-24-8-7-20-13-24)21-11-17-22-18(23-27-17)15-5-9-26-10-6-15/h1-4,7-8,13,15H,5-6,9-12H2,(H,21,25)
InChIKeyGIGJPTCBFAXANN-UHFFFAOYSA-N
XLogP2.14
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide (CID 121021939) is 4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is O=C(NCc1nc(C2CCOCC2)no1)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
The InChIKey is GIGJPTCBFAXANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c25-19(16-3-1-14(2-4-16)12-24-8-7-20-13-24)21-11-17-22-18(23-27-17)15-5-9-26-10-6-15/h1-4,7-8,13,15H,5-6,9-12H2,(H,21,25).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide?
4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide has a molecular weight of 367.41 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-[[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]methyl]benzamide is sourced from PubChem (CID 121021939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).