N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine

C26H32N2O4 — CID 46955142

IUPACN-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine
SMILESCOc1ccc(C2(NCc3ccc(OCc4c(C)noc4C)c(OC)c3)CCCC2)cc1
InChIInChI=1S/C26H32N2O4/c1-18-23(19(2)32-28-18)17-31-24-12-7-20(15-25(24)30-4)16-27-26(13-5-6-14-26)21-8-10-22(29-3)11-9-21/h7-12,15,27H,5-6,13-14,16-17H2,1-4H3
InChIKeyDZYRVCBOKMOGMH-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.45
Rot. Bonds9

About N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine

N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine (PubChem CID 46955142) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine.

Molecular Properties

Compound NameN-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine
PubChem CID46955142
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine
SMILESCOc1ccc(C2(NCc3ccc(OCc4c(C)noc4C)c(OC)c3)CCCC2)cc1
InChIInChI=1S/C26H32N2O4/c1-18-23(19(2)32-28-18)17-31-24-12-7-20(15-25(24)30-4)16-27-26(13-5-6-14-26)21-8-10-22(29-3)11-9-21/h7-12,15,27H,5-6,13-14,16-17H2,1-4H3
InChIKeyDZYRVCBOKMOGMH-UHFFFAOYSA-N
XLogP5.45
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine with MolForge

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Related Compounds

(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[1-(4-methoxyphenyl)cyclopentyl]prop-2-enamide
CID 60618186
cis-(1R,2S)-N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-2-methylcyclohexan-1-amine
CID 30612737
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methanol
CID 28782952
1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[(5-ethylthiophen-2-yl)methyl]methanamine
CID 119111431
1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]propan-2-ol
CID 110878814
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N'-(4-methoxybenzoyl)benzohydrazide
CID 2093118
4-[(2-methoxy-4-methylphenoxy)methyl]-3,5-dimethyl-1,2-oxazole
CID 71103207
[1-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methylamino]cyclopentyl]methanol
CID 111916814
[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-4-methoxyphenyl]methanamine
CID 60879250
N-[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methoxyphenyl]methyl]-1-(2-fluorophenyl)cyclopentan-1-amine
CID 46955154
N-[2-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methylamino]ethyl]-2-methylpropanamide
CID 32665756
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxy-N-[(3-methoxyphenyl)methyl]benzamide
CID 27231637

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine?
The IUPAC name of N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine (CID 46955142) is N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine.
What is the SMILES notation for N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine?
The canonical SMILES for N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine is COc1ccc(C2(NCc3ccc(OCc4c(C)noc4C)c(OC)c3)CCCC2)cc1.
What is the InChIKey of N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine?
The InChIKey is DZYRVCBOKMOGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-18-23(19(2)32-28-18)17-31-24-12-7-20(15-25(24)30-4)16-27-26(13-5-6-14-26)21-8-10-22(29-3)11-9-21/h7-12,15,27H,5-6,13-14,16-17H2,1-4H3.
What are the key properties of N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine?
N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine has a molecular weight of 436.55 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)cyclopentan-1-amine is sourced from PubChem (CID 46955142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).