5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide

C20H24N4O3 — CID 24791177

IUPAC5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)N(C)CCn3ccnc3C)no2)cc1C
InChIInChI=1S/C20H24N4O3/c1-14-5-6-17(11-15(14)2)26-13-18-12-19(22-27-18)20(25)23(4)9-10-24-8-7-21-16(24)3/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyFSIOAVDRVFGJRM-UHFFFAOYSA-N
MW368.44 g/mol
LogP3.15
Rot. Bonds7

About 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide

5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24791177) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID24791177
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)N(C)CCn3ccnc3C)no2)cc1C
InChIInChI=1S/C20H24N4O3/c1-14-5-6-17(11-15(14)2)26-13-18-12-19(22-27-18)20(25)23(4)9-10-24-8-7-21-16(24)3/h5-8,11-12H,9-10,13H2,1-4H3
InChIKeyFSIOAVDRVFGJRM-UHFFFAOYSA-N
XLogP3.15
TPSA73.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-imidazolylpropyl)[5-(3-methoxyphenyl)isoxazol-3-yl]carboxamide
CID 9550543
N-[3-(1-imidazolyl)propyl]-7-methoxy-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
CID 3238932
[5-(3,4-dimethoxyphenyl)isoxazol-3-yl]-N-(3-imidazolylpropyl)carboxamide
CID 9550539
1-({5-[(2,6-dimethylphenoxy)methyl]-3-isoxazolyl}carbonyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]piperazine
CID 24790311
5-[(2-chloro-4-fluorophenoxy)methyl]-N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-3-isoxazolecarboxamide
CID 24791839
N-methyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-5-{[3-(trifluoromethyl)phenoxy]methyl}-3-isoxazolecarboxamide
CID 24792979
N-[(1-methylimidazol-2-yl)methyl]-N-propan-2-yl-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 24794145
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-pyridinyl)ethyl]-3-isoxazolecarboxamide
CID 24816643
5-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-isopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-3-isoxazolecarboxamide
CID 24817715
N-[(3-methoxyphenyl)methyl]-N-methyl-5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 24817782
5-[(2,4-difluorophenoxy)methyl]-N-methyl-N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 42097832
5-[(2,4-difluorophenoxy)methyl]-N-[(1-ethyl-1H-imidazol-2-yl)methyl]isoxazole-3-carboxamide
CID 16190274

Frequently Asked Questions

What is the IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 24791177) is 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)N(C)CCn3ccnc3C)no2)cc1C.
What is the InChIKey of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is FSIOAVDRVFGJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-5-6-17(11-15(14)2)26-13-18-12-19(22-27-18)20(25)23(4)9-10-24-8-7-21-16(24)3/h5-8,11-12H,9-10,13H2,1-4H3.
What are the key properties of 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dimethylphenoxy)methyl]-N-methyl-N-[2-(2-methylimidazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).