N-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine

C37H46N8O5 — CID 162006384

IUPACN-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine
SMILESCNc1ccn(Cc2c(C)noc2C)n1.COc1cccc(CN(Cc2cccc(OC)c2OC)c2ccn(Cc3c(C)noc3C)n2)c1C
InChIInChI=1S/C27H32N4O4.C10H14N4O/c1-18-21(9-7-11-24(18)32-4)15-30(16-22-10-8-12-25(33-5)27(22)34-6)26-13-14-31(28-26)17-23-19(2)29-35-20(23)3;1-7-9(8(2)15-13-7)6-14-5-4-10(11-3)12-14/h7-14H,15-17H2,1-6H3;4-5H,6H2,1-3H3,(H,11,12)
InChIKeyYSWVGAIBOBJMCL-UHFFFAOYSA-N
MW682.83 g/mol
LogP6.66
Rot. Bonds13

About N-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine

N-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine (PubChem CID 162006384) has the molecular formula C37H46N8O5 and a molecular weight of 682.83 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine
PubChem CID162006384
Molecular FormulaC37H46N8O5
Molecular Weight682.83 g/mol
Exact Mass682.36
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine
SMILESCNc1ccn(Cc2c(C)noc2C)n1.COc1cccc(CN(Cc2cccc(OC)c2OC)c2ccn(Cc3c(C)noc3C)n2)c1C
InChIInChI=1S/C27H32N4O4.C10H14N4O/c1-18-21(9-7-11-24(18)32-4)15-30(16-22-10-8-12-25(33-5)27(22)34-6)26-13-14-31(28-26)17-23-19(2)29-35-20(23)3;1-7-9(8(2)15-13-7)6-14-5-4-10(11-3)12-14/h7-14H,15-17H2,1-6H3;4-5H,6H2,1-3H3,(H,11,12)
InChIKeyYSWVGAIBOBJMCL-UHFFFAOYSA-N
XLogP6.66
TPSA130.66 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500682.83
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze N-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine with MolForge

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Related Compounds

N-[1,3-benzodioxol-5-yl(methoxy)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-amine
CID 163612764
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[3-(1H-pyrrol-3-yl)oxiran-2-yl]pyrazol-3-amine
CID 123386935
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(3-pyridin-3-yloxiran-2-yl)pyrazol-3-amine
CID 123705639
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-(2-methoxyphenyl)acetamide
CID 57422281
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-3-yl]propan-2-one
CID 148782583
methyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,2,4-triazole-3-carboxylate
CID 78955668
N-[(2,3-dimethoxyphenyl)methyl]-N-ethylethanamine
CID 4658188
N-[(2,3-dimethoxyphenyl)methyl]-4-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]imidazol-2-yl]piperidine-1-carbothioamide
CID 3344255
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide
CID 19407129
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 30826058
4-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 92732438
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 99834666

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine (CID 162006384) is N-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine is CNc1ccn(Cc2c(C)noc2C)n1.COc1cccc(CN(Cc2cccc(OC)c2OC)c2ccn(Cc3c(C)noc3C)n2)c1C.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine?
The InChIKey is YSWVGAIBOBJMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4.C10H14N4O/c1-18-21(9-7-11-24(18)32-4)15-30(16-22-10-8-12-25(33-5)27(22)34-6)26-13-14-31(28-26)17-23-19(2)29-35-20(23)3;1-7-9(8(2)15-13-7)6-14-5-4-10(11-3)12-14/h7-14H,15-17H2,1-6H3;4-5H,6H2,1-3H3,(H,11,12).
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine?
N-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine has a molecular weight of 682.83 g/mol, XLogP of 6.66, 13 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-[(3-methoxy-2-methylphenyl)methyl]pyrazol-3-amine;1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylpyrazol-3-amine is sourced from PubChem (CID 162006384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).