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

C18H19ClN4O2 — CID 56756979

IUPACN-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cn(Cc2nc(-c3cccc(Cl)c3)oc2C)cn1
InChIInChI=1S/C18H19ClN4O2/c1-12-17(22-18(25-12)14-4-3-5-15(19)8-14)10-23-9-16(21-11-23)6-7-20-13(2)24/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,24)
InChIKeyXSNMZAOHTURART-UHFFFAOYSA-N
MW358.83 g/mol
LogP3.23
Rot. Bonds6

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

N-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-4-yl]ethyl]acetamide (PubChem CID 56756979) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-4-yl]ethyl]acetamide
PubChem CID56756979
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-4-yl]ethyl]acetamide
SMILESCC(=O)NCCc1cn(Cc2nc(-c3cccc(Cl)c3)oc2C)cn1
InChIInChI=1S/C18H19ClN4O2/c1-12-17(22-18(25-12)14-4-3-5-15(19)8-14)10-23-9-16(21-11-23)6-7-20-13(2)24/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,24)
InChIKeyXSNMZAOHTURART-UHFFFAOYSA-N
XLogP3.23
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3-Imidazol-1-ylpropylamino)-2-(4-methylphenyl)-1,3-oxazole-4-carbonitrile
CID 2908011
5-(3-Imidazol-1-yl-propylamino)-2-(2-methoxy-phenyl)-oxazole-4-carbonitrile
CID 3796634
N-[(3R)-5-chloro-2,3-dihydro-1-benzofuran-3-yl]-6-methoxy-5-(4-methylimidazol-1-yl)pyridine-2-carboxamide
CID 52919035
2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-[(3-methylimidazol-4-yl)methyl]-1,4-dihydropyrimidine-5-carboxamide
CID 155801528
2-(1,3-benzoxazol-2-ylamino)-4-(2-chlorophenyl)-6-methyl-N-[(1-methylimidazol-4-yl)methyl]-1,4-dihydropyrimidine-5-carboxamide
CID 156898966
1-{[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3237467
2-(4-tert-butylphenyl)-5-{[3-(1H-imidazol-1-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
CID 4535363
5-(3-Imidazol-1-ylpropylamino)-2-phenyl-1,3-oxazole-4-carbonitrile
CID 3146501
2,5-diphenyl-N-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-1,3-oxazole-4-carboxamide
CID 16067542
(4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90414415
(4R)-3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90451951
3-[2-[1-[5-(4-chlorophenyl)-4-methyl-1,3-oxazol-2-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 129287219

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-4-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-4-yl]ethyl]acetamide (CID 56756979) is N-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-4-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-4-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-4-yl]ethyl]acetamide is CC(=O)NCCc1cn(Cc2nc(-c3cccc(Cl)c3)oc2C)cn1.
What is the InChIKey of N-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-4-yl]ethyl]acetamide?
The InChIKey is XSNMZAOHTURART-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-12-17(22-18(25-12)14-4-3-5-15(19)8-14)10-23-9-16(21-11-23)6-7-20-13(2)24/h3-5,8-9,11H,6-7,10H2,1-2H3,(H,20,24).
What are the key properties of N-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-4-yl]ethyl]acetamide?
N-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-4-yl]ethyl]acetamide has a molecular weight of 358.83 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 56756979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).