N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine

C21H26N2O — CID 19365191

IUPACN-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1
InChIInChI=1S/C21H26N2O/c1-2-13-22-20(15-18-11-7-4-8-12-18)21-16-19(23-24-21)14-17-9-5-3-6-10-17/h3-12,20-22H,2,13-16H2,1H3
InChIKeyFRNBLYKYUQJWLD-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.98
Rot. Bonds8

About N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine

N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine (PubChem CID 19365191) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine
PubChem CID19365191
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine
SMILESCCCNC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1
InChIInChI=1S/C21H26N2O/c1-2-13-22-20(15-18-11-7-4-8-12-18)21-16-19(23-24-21)14-17-9-5-3-6-10-17/h3-12,20-22H,2,13-16H2,1H3
InChIKeyFRNBLYKYUQJWLD-UHFFFAOYSA-N
XLogP3.98
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine?
The IUPAC name of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine (CID 19365191) is N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine is CCCNC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1.
What is the InChIKey of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine?
The InChIKey is FRNBLYKYUQJWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-2-13-22-20(15-18-11-7-4-8-12-18)21-16-19(23-24-21)14-17-9-5-3-6-10-17/h3-12,20-22H,2,13-16H2,1H3.
What are the key properties of N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine?
N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine has a molecular weight of 322.45 g/mol, XLogP of 3.98, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-1-amine is sourced from PubChem (CID 19365191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).