N-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine

C25H29N5O3 — CID 144815440

IUPACN-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine
SMILESCN(N)C=O.Cc1ccc(-c2nc3ccc(OCc4c(C)cccc4N(C)N)cc3o2)cc1
InChIInChI=1S/C23H23N3O2.C2H6N2O/c1-15-7-9-17(10-8-15)23-25-20-12-11-18(13-22(20)28-23)27-14-19-16(2)5-4-6-21(19)26(3)24;1-4(3)2-5/h4-13H,14,24H2,1-3H3;2H,3H2,1H3
InChIKeyJHLPIQYAMURFSY-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.95
Rot. Bonds6

About N-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine

N-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine (PubChem CID 144815440) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine.

Molecular Properties

Compound NameN-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine
PubChem CID144815440
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine
SMILESCN(N)C=O.Cc1ccc(-c2nc3ccc(OCc4c(C)cccc4N(C)N)cc3o2)cc1
InChIInChI=1S/C23H23N3O2.C2H6N2O/c1-15-7-9-17(10-8-15)23-25-20-12-11-18(13-22(20)28-23)27-14-19-16(2)5-4-6-21(19)26(3)24;1-4(3)2-5/h4-13H,14,24H2,1-3H3;2H,3H2,1H3
InChIKeyJHLPIQYAMURFSY-UHFFFAOYSA-N
XLogP3.95
TPSA110.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-[[2-(4-fluorophenyl)-4-pyridinyl]oxymethyl]-3-methylphenyl]-1-methylhydrazine
CID 144739084
2-[4-[(4-methylphenyl)methoxy]phenyl]-1,3-benzoxazole
CID 91678637
4-(6-butoxy-1,3-benzoxazol-2-yl)aniline
CID 129018379
N'-[3-[4-[6-[3-[2-(dimethylamino)ethyl-methylamino]propoxy]-1,3-benzoxazol-2-yl]phenoxy]propyl]-N,N,N'-trimethylethane-1,2-diamine
CID 45137750
4-[[4-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenoxy]methyl]aniline
CID 91678619
6-methoxy-2-(3-methylphenyl)-1,3-benzoxazole
CID 135041335
(2-phenyl-1,3-benzoxazol-6-yl) 3-(4-methylphenyl)propanoate
CID 110494619
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
6-methyl-2-(3-methylphenyl)-1,3-benzoxazole
CID 17360080
3-[(2-phenyl-1,3-benzoxazol-6-yl)oxy]propan-1-ol
CID 117098273
5-methyl-2-(4-phenylmethoxyphenyl)-1,3-benzoxazole;2-methylpropane
CID 90914876
methyl 2-[6-(6-methoxy-1,3-benzoxazol-2-yl)naphthalen-2-yl]oxyacetate
CID 151661661

Frequently Asked Questions

What is the IUPAC name of N-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine?
The IUPAC name of N-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine (CID 144815440) is N-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine.
What is the SMILES notation for N-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine?
The canonical SMILES for N-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine is CN(N)C=O.Cc1ccc(-c2nc3ccc(OCc4c(C)cccc4N(C)N)cc3o2)cc1.
What is the InChIKey of N-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine?
The InChIKey is JHLPIQYAMURFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2.C2H6N2O/c1-15-7-9-17(10-8-15)23-25-20-12-11-18(13-22(20)28-23)27-14-19-16(2)5-4-6-21(19)26(3)24;1-4(3)2-5/h4-13H,14,24H2,1-3H3;2H,3H2,1H3.
What are the key properties of N-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine?
N-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine has a molecular weight of 447.54 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-methylformamide;1-methyl-1-[3-methyl-2-[[2-(4-methylphenyl)-1,3-benzoxazol-6-yl]oxymethyl]phenyl]hydrazine is sourced from PubChem (CID 144815440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).