N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline

C26H25N3O2 — CID 129266025

IUPACN,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline
SMILESc1ccc([C@@H]2COC(CN(CC3=N[C@H](c4ccccc4)CO3)c3ccccc3)=N2)cc1
InChIInChI=1S/C26H25N3O2/c1-4-10-20(11-5-1)23-18-30-25(27-23)16-29(22-14-8-3-9-15-22)17-26-28-24(19-31-26)21-12-6-2-7-13-21/h1-15,23-24H,16-19H2/t23-,24-/m0/s1
InChIKeyIUVVDUIVQSJPEP-ZEQRLZLVSA-N
MW411.50 g/mol
LogP4.83
Rot. Bonds7

About N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline

N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline (PubChem CID 129266025) has the molecular formula C26H25N3O2 and a molecular weight of 411.50 g/mol. Its IUPAC name is N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline.

Molecular Properties

Compound NameN,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline
PubChem CID129266025
Molecular FormulaC26H25N3O2
Molecular Weight411.50 g/mol
Exact Mass411.19
IUPAC NameN,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline
SMILESc1ccc([C@@H]2COC(CN(CC3=N[C@H](c4ccccc4)CO3)c3ccccc3)=N2)cc1
InChIInChI=1S/C26H25N3O2/c1-4-10-20(11-5-1)23-18-30-25(27-23)16-29(22-14-8-3-9-15-22)17-26-28-24(19-31-26)21-12-6-2-7-13-21/h1-15,23-24H,16-19H2/t23-,24-/m0/s1
InChIKeyIUVVDUIVQSJPEP-ZEQRLZLVSA-N
XLogP4.83
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.50
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 59919098
diphenyl-[(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]phosphane
CID 6396282
(4R)-4-phenyl-2-[[5-[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-1H-pyrrol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 127262963
N-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-N-[(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)methyl]aniline
CID 123274666
(4R)-4-methyl-2-[[2,4,6-trimethyl-3-[[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]-5-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]phenyl]methyl]-4,5-dihydro-1,3-oxazole
CID 11155717
1-[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine;1-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
CID 160545550
(2R)-2-phenyl-3-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]propanenitrile
CID 10934710
2-(chloromethyl)-4-phenyl-5,6-dihydro-4H-1,3-oxazine
CID 68922865
(4R)-4-(4-phenylmethoxyphenyl)-2-[[(4R)-4-(4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]methyl]-4,5-dihydro-1,3-oxazole
CID 177495917
3-[4-(3-bromophenyl)-4,5-dihydro-1,3-oxazol-2-yl]propan-1-amine
CID 115062135
tert-butyl 3,3-dimethyl-4-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]butanoate
CID 166481987
CID 72964471
CID 72964471

Frequently Asked Questions

What is the IUPAC name of N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline?
The IUPAC name of N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline (CID 129266025) is N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline.
What is the SMILES notation for N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline?
The canonical SMILES for N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline is c1ccc([C@@H]2COC(CN(CC3=N[C@H](c4ccccc4)CO3)c3ccccc3)=N2)cc1.
What is the InChIKey of N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline?
The InChIKey is IUVVDUIVQSJPEP-ZEQRLZLVSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-4-10-20(11-5-1)23-18-30-25(27-23)16-29(22-14-8-3-9-15-22)17-26-28-24(19-31-26)21-12-6-2-7-13-21/h1-15,23-24H,16-19H2/t23-,24-/m0/s1.
What are the key properties of N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline?
N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline has a molecular weight of 411.50 g/mol, XLogP of 4.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]aniline is sourced from PubChem (CID 129266025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).