4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide

C23H31N3O4 — CID 169414203

IUPAC4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide
SMILESCOc1ccc(C(=O)NC2CCC(C(=O)NCc3cc(CC(C)C)no3)CC2)cc1
InChIInChI=1S/C23H31N3O4/c1-15(2)12-19-13-21(30-26-19)14-24-22(27)16-4-8-18(9-5-16)25-23(28)17-6-10-20(29-3)11-7-17/h6-7,10-11,13,15-16,18H,4-5,8-9,12,14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyQOTLSSYEJXZKRL-UHFFFAOYSA-N
MW413.52 g/mol
LogP3.49
Rot. Bonds8

About 4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide

4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide (PubChem CID 169414203) has the molecular formula C23H31N3O4 and a molecular weight of 413.52 g/mol. Its IUPAC name is 4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide
PubChem CID169414203
Molecular FormulaC23H31N3O4
Molecular Weight413.52 g/mol
Exact Mass413.23
IUPAC Name4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide
SMILESCOc1ccc(C(=O)NC2CCC(C(=O)NCc3cc(CC(C)C)no3)CC2)cc1
InChIInChI=1S/C23H31N3O4/c1-15(2)12-19-13-21(30-26-19)14-24-22(27)16-4-8-18(9-5-16)25-23(28)17-6-10-20(29-3)11-7-17/h6-7,10-11,13,15-16,18H,4-5,8-9,12,14H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyQOTLSSYEJXZKRL-UHFFFAOYSA-N
XLogP3.49
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
methyl 4-methoxy-3-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoylamino]benzoate
CID 118785711
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
[(2S)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-[(4-methoxybenzoyl)amino]acetate
CID 8788329
4-[[4-(2-methylpropyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 166193453
N-[2-[1-(4-methoxyphenyl)propan-2-ylamino]ethyl]cyclopropanecarboxamide
CID 115706324
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
N-[2-(4-methoxyphenyl)-2-oxoethyl]cyclopropanecarboxamide
CID 94261270
N-(4-cyanocyclohexyl)-4-methoxybenzamide
CID 115270168
4-methoxy-N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866605
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
4-N-cyclopentyl-1-N-[2-(4-methoxyphenoxy)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145817

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide (CID 169414203) is 4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide is COc1ccc(C(=O)NC2CCC(C(=O)NCc3cc(CC(C)C)no3)CC2)cc1.
What is the InChIKey of 4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide?
The InChIKey is QOTLSSYEJXZKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4/c1-15(2)12-19-13-21(30-26-19)14-24-22(27)16-4-8-18(9-5-16)25-23(28)17-6-10-20(29-3)11-7-17/h6-7,10-11,13,15-16,18H,4-5,8-9,12,14H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide?
4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide has a molecular weight of 413.52 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methylcarbamoyl]cyclohexyl]benzamide is sourced from PubChem (CID 169414203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).