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

C17H18N4O2 — CID 90537554

IUPAC4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
SMILESCc1cc(CCNC(=O)c2ccc(Cn3ccnc3)cc2)on1
InChIInChI=1S/C17H18N4O2/c1-13-10-16(23-20-13)6-7-19-17(22)15-4-2-14(3-5-15)11-21-9-8-18-12-21/h2-5,8-10,12H,6-7,11H2,1H3,(H,19,22)
InChIKeyMODPEQYDMZADNG-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.20
Rot. Bonds6

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

4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide (PubChem CID 90537554) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
PubChem CID90537554
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
SMILESCc1cc(CCNC(=O)c2ccc(Cn3ccnc3)cc2)on1
InChIInChI=1S/C17H18N4O2/c1-13-10-16(23-20-13)6-7-19-17(22)15-4-2-14(3-5-15)11-21-9-8-18-12-21/h2-5,8-10,12H,6-7,11H2,1H3,(H,19,22)
InChIKeyMODPEQYDMZADNG-UHFFFAOYSA-N
XLogP2.20
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(3,5-dimethylpyrazol-1-yl)phenyl]ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 55723880
4-methyl-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537604
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
CID 43918906
N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537602
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)benzamide
CID 34907094
4-(imidazol-1-ylmethyl)-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 86844740
N-(2-tert-butylsulfanylethyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43922772
4-(dimethylamino)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide
CID 90537724
4-(imidazol-1-ylmethyl)-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46773577
4-(imidazol-1-ylmethyl)-N-[3-(4-propan-2-ylphenyl)propyl]benzamide
CID 100571968
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570

Frequently Asked Questions

What is the IUPAC name of 4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide?
The IUPAC name of 4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide (CID 90537554) is 4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide?
The canonical SMILES for 4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide is Cc1cc(CCNC(=O)c2ccc(Cn3ccnc3)cc2)on1.
What is the InChIKey of 4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide?
The InChIKey is MODPEQYDMZADNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-13-10-16(23-20-13)6-7-19-17(22)15-4-2-14(3-5-15)11-21-9-8-18-12-21/h2-5,8-10,12H,6-7,11H2,1H3,(H,19,22).
What are the key properties of 4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide?
4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide has a molecular weight of 310.36 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(imidazol-1-ylmethyl)-N-[2-(3-methyl-1,2-oxazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 90537554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).