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

C24H30N2O2 — CID 56665925

IUPACN-[[2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1coc(-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C24H30N2O2/c1-3-4-6-9-19(2)25-16-22-18-28-24(26-22)21-12-14-23(15-13-21)27-17-20-10-7-5-8-11-20/h5,7-8,10-15,18-19,25H,3-4,6,9,16-17H2,1-2H3
InChIKeyPOQPFANUCUAMAV-UHFFFAOYSA-N
MW378.52 g/mol
LogP5.98
Rot. Bonds11

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

N-[[2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine (PubChem CID 56665925) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-[[2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine.

Molecular Properties

Compound NameN-[[2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
PubChem CID56665925
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-[[2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1coc(-c2ccc(OCc3ccccc3)cc2)n1
InChIInChI=1S/C24H30N2O2/c1-3-4-6-9-19(2)25-16-22-18-28-24(26-22)21-12-14-23(15-13-21)27-17-20-10-7-5-8-11-20/h5,7-8,10-15,18-19,25H,3-4,6,9,16-17H2,1-2H3
InChIKeyPOQPFANUCUAMAV-UHFFFAOYSA-N
XLogP5.98
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
The IUPAC name of N-[[2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine (CID 56665925) is N-[[2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine.
What is the SMILES notation for N-[[2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
The canonical SMILES for N-[[2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine is CCCCCC(C)NCc1coc(-c2ccc(OCc3ccccc3)cc2)n1.
What is the InChIKey of N-[[2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
The InChIKey is POQPFANUCUAMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-3-4-6-9-19(2)25-16-22-18-28-24(26-22)21-12-14-23(15-13-21)27-17-20-10-7-5-8-11-20/h5,7-8,10-15,18-19,25H,3-4,6,9,16-17H2,1-2H3.
What are the key properties of N-[[2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine?
N-[[2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine has a molecular weight of 378.52 g/mol, XLogP of 5.98, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-phenylmethoxyphenyl)-1,3-oxazol-4-yl]methyl]heptan-2-amine is sourced from PubChem (CID 56665925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).