N-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine

C25H26N2O — CID 57045459

IUPACN-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine
SMILESC1=C(Cc2ccccc2)NOC1C(Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C25H26N2O/c1-4-10-20(11-5-1)16-23-18-25(28-27-23)24(17-21-12-6-2-7-13-21)26-19-22-14-8-3-9-15-22/h1-15,18,24-27H,16-17,19H2
InChIKeyVZYWDIXDPNJQRN-UHFFFAOYSA-N
MW370.50 g/mol
LogP4.42
Rot. Bonds8

About N-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine

N-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine (PubChem CID 57045459) has the molecular formula C25H26N2O and a molecular weight of 370.50 g/mol. Its IUPAC name is N-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine.

Molecular Properties

Compound NameN-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine
PubChem CID57045459
Molecular FormulaC25H26N2O
Molecular Weight370.50 g/mol
Exact Mass370.20
IUPAC NameN-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine
SMILESC1=C(Cc2ccccc2)NOC1C(Cc1ccccc1)NCc1ccccc1
InChIInChI=1S/C25H26N2O/c1-4-10-20(11-5-1)16-23-18-25(28-27-23)24(17-21-12-6-2-7-13-21)26-19-22-14-8-3-9-15-22/h1-15,18,24-27H,16-17,19H2
InChIKeyVZYWDIXDPNJQRN-UHFFFAOYSA-N
XLogP4.42
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(Z,2S)-2-(dibenzylamino)-1-(3,5-difluorophenyl)-4-(propylamino)hex-4-en-3-ol
CID 148782735
N-[(E)-1,2-diphenylethenyl]-N-(1-phenylbutoxy)prop-2-en-1-amine
CID 134927460
N-benzyl-1-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 24712731
(2R,3S)-1-amino-3-(dibenzylamino)-4-phenylbutan-2-ol
CID 11279881
N-benzyl-1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine
CID 19365236
1-Amino-3-(dibenzylamino)-4-phenylbutan-2-ol
CID 19430166
1-(Dibenzylamino)oxy-1-phenylpropan-2-amine
CID 20072208
1-(3-benzyl-4,5-dihydro-1,2-oxazol-5-yl)-N-[(4-methylphenyl)methyl]-2-phenylethanamine
CID 53634090
N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]formamide
CID 56997971
N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]benzamide
CID 57009017
N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]-2-methylpropanamide
CID 57027039
(1R)-1-[(5R)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethanamine
CID 57053396

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine?
The IUPAC name of N-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine (CID 57045459) is N-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine.
What is the SMILES notation for N-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine?
The canonical SMILES for N-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine is C1=C(Cc2ccccc2)NOC1C(Cc1ccccc1)NCc1ccccc1.
What is the InChIKey of N-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine?
The InChIKey is VZYWDIXDPNJQRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O/c1-4-10-20(11-5-1)16-23-18-25(28-27-23)24(17-21-12-6-2-7-13-21)26-19-22-14-8-3-9-15-22/h1-15,18,24-27H,16-17,19H2.
What are the key properties of N-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine?
N-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine has a molecular weight of 370.50 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethanamine is sourced from PubChem (CID 57045459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).