N-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine

C24H30N2O3 — CID 56683848

IUPACN-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1coc(-c2ccc(Oc3ccc(OC)cc3)cc2)n1
InChIInChI=1S/C24H30N2O3/c1-4-5-6-7-18(2)25-16-20-17-28-24(26-20)19-8-10-22(11-9-19)29-23-14-12-21(27-3)13-15-23/h8-15,17-18,25H,4-7,16H2,1-3H3
InChIKeySITIXROZVJKRMR-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.20
Rot. Bonds11

About N-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine

N-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine (PubChem CID 56683848) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine.

Molecular Properties

Compound NameN-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine
PubChem CID56683848
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC NameN-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1coc(-c2ccc(Oc3ccc(OC)cc3)cc2)n1
InChIInChI=1S/C24H30N2O3/c1-4-5-6-7-18(2)25-16-20-17-28-24(26-20)19-8-10-22(11-9-19)29-23-14-12-21(27-3)13-15-23/h8-15,17-18,25H,4-7,16H2,1-3H3
InChIKeySITIXROZVJKRMR-UHFFFAOYSA-N
XLogP6.20
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
CID 46220080
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]pentan-2-amine
CID 56682845
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-N-methylbutan-1-amine
CID 56664992
4-methoxy-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]aniline
CID 56672873
1-(3,5-dimethoxyphenyl)-N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]methanamine
CID 56672439
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-4-phenylbutan-2-amine
CID 56677220
N-[(6-methoxy-2-pyridinyl)methyl]hexan-2-amine
CID 63985472
(2S)-N-[(2,5-dimethoxyphenyl)methyl]heptan-2-amine
CID 93035260
N-[[2-(2,5-dimethoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288580
[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl butanoate
CID 55537653
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-3-methylpyridine-2-carboxamide
CID 68983390

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine?
The IUPAC name of N-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine (CID 56683848) is N-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine.
What is the SMILES notation for N-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine?
The canonical SMILES for N-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine is CCCCCC(C)NCc1coc(-c2ccc(Oc3ccc(OC)cc3)cc2)n1.
What is the InChIKey of N-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine?
The InChIKey is SITIXROZVJKRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-4-5-6-7-18(2)25-16-20-17-28-24(26-20)19-8-10-22(11-9-19)29-23-14-12-21(27-3)13-15-23/h8-15,17-18,25H,4-7,16H2,1-3H3.
What are the key properties of N-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine?
N-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine has a molecular weight of 394.52 g/mol, XLogP of 6.20, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(4-methoxyphenoxy)phenyl]-1,3-oxazol-4-yl]methyl]heptan-2-amine is sourced from PubChem (CID 56683848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).