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

C21H26N2O — CID 57187638

IUPACN-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-2-amine
SMILESCC(C)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C21H26N2O/c1-16(2)22-20(14-18-11-7-4-8-12-18)21-15-19(23-24-21)13-17-9-5-3-6-10-17/h3-12,15-16,20-23H,13-14H2,1-2H3
InChIKeyMDAPOFYBVPHFCL-UHFFFAOYSA-N
MW322.45 g/mol
LogP3.63
Rot. Bonds7

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

N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-2-amine (PubChem CID 57187638) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-2-amine.

Molecular Properties

Compound NameN-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-2-amine
PubChem CID57187638
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC NameN-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-2-amine
SMILESCC(C)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C21H26N2O/c1-16(2)22-20(14-18-11-7-4-8-12-18)21-15-19(23-24-21)13-17-9-5-3-6-10-17/h3-12,15-16,20-23H,13-14H2,1-2H3
InChIKeyMDAPOFYBVPHFCL-UHFFFAOYSA-N
XLogP3.63
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-2-amine?
The IUPAC name of N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-2-amine (CID 57187638) is N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-2-amine.
What is the SMILES notation for N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-2-amine?
The canonical SMILES for N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-2-amine is CC(C)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1.
What is the InChIKey of N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-2-amine?
The InChIKey is MDAPOFYBVPHFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-16(2)22-20(14-18-11-7-4-8-12-18)21-15-19(23-24-21)13-17-9-5-3-6-10-17/h3-12,15-16,20-23H,13-14H2,1-2H3.
What are the key properties of N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-2-amine?
N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-2-amine has a molecular weight of 322.45 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]propan-2-amine is sourced from PubChem (CID 57187638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).