N'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide

C26H30N4O2 — CID 154536455

IUPACN'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide
SMILESCc1ccc(-c2nc(CCOc3cccc4c3CCC=C4CCC(N)=NN)c(C)o2)cc1
InChIInChI=1S/C26H30N4O2/c1-17-9-11-20(12-10-17)26-29-23(18(2)32-26)15-16-31-24-8-4-6-21-19(5-3-7-22(21)24)13-14-25(27)30-28/h4-6,8-12H,3,7,13-16,28H2,1-2H3,(H2,27,30)
InChIKeyGUQHTOWTHXZAMN-UHFFFAOYSA-N
MW430.55 g/mol
LogP4.92
Rot. Bonds8

About N'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide

N'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide (PubChem CID 154536455) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide.

Molecular Properties

Compound NameN'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide
PubChem CID154536455
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide
SMILESCc1ccc(-c2nc(CCOc3cccc4c3CCC=C4CCC(N)=NN)c(C)o2)cc1
InChIInChI=1S/C26H30N4O2/c1-17-9-11-20(12-10-17)26-29-23(18(2)32-26)15-16-31-24-8-4-6-21-19(5-3-7-22(21)24)13-14-25(27)30-28/h4-6,8-12H,3,7,13-16,28H2,1-2H3,(H2,27,30)
InChIKeyGUQHTOWTHXZAMN-UHFFFAOYSA-N
XLogP4.92
TPSA99.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[5-[2-[2-[4-(hydroxymethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoate
CID 10367053
2-[4-(difluoromethoxy)phenyl]-4-[2-[[5-(3-ethoxybut-3-enyl)-7,8-dihydronaphthalen-1-yl]oxy]ethyl]-5-methyl-1,3-oxazole
CID 142150450
2-[5-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]acetic acid
CID 10110882
ethyl 3-[5-[2-[5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoate
CID 57471794
ethyl 3-[5-[2-[5-methyl-2-(5-methylpyrazin-2-yl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoate
CID 57471799
2,2-dimethyl-3-[5-[2-[5-methyl-2-(6-piperidin-1-yl-3-pyridinyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid
CID 58864523
5-methyl-2-phenyl-4-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]-1,3-oxazole
CID 18003621
ethyl 5-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]pentanoate
CID 10299269
ethyl 3-[5-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]-3,4-dihydro-2H-quinolin-1-yl]propanoate
CID 10275818
ethane;[4-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]methanamine
CID 91034363
3-[5-[2-(5-methyl-2-piperazin-1-yl-1,3-thiazol-4-yl)ethoxy]-3,4-dihydronaphthalen-1-yl]propanoic acid
CID 10224410
4-(2-cyclopenta[b]thiopyran-4-yloxyethyl)-5-methyl-2-phenyl-1,3-oxazole
CID 141010481

Frequently Asked Questions

What is the IUPAC name of N'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide?
The IUPAC name of N'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide (CID 154536455) is N'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide.
What is the SMILES notation for N'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide?
The canonical SMILES for N'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide is Cc1ccc(-c2nc(CCOc3cccc4c3CCC=C4CCC(N)=NN)c(C)o2)cc1.
What is the InChIKey of N'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide?
The InChIKey is GUQHTOWTHXZAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-17-9-11-20(12-10-17)26-29-23(18(2)32-26)15-16-31-24-8-4-6-21-19(5-3-7-22(21)24)13-14-25(27)30-28/h4-6,8-12H,3,7,13-16,28H2,1-2H3,(H2,27,30).
What are the key properties of N'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide?
N'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide has a molecular weight of 430.55 g/mol, XLogP of 4.92, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-3-[5-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethoxy]-3,4-dihydronaphthalen-1-yl]propanimidamide is sourced from PubChem (CID 154536455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).