1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine

C20H22ClN3O — CID 92759546

IUPAC1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine
SMILESClc1ccc(N2CN(C[C@H]3CCCO3)CN=C2c2ccccc2)cc1
InChIInChI=1S/C20H22ClN3O/c21-17-8-10-18(11-9-17)24-15-23(13-19-7-4-12-25-19)14-22-20(24)16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2/t19-/m1/s1
InChIKeyDFSMJXMVKVSOHB-LJQANCHMSA-N
MW355.87 g/mol
LogP4.00
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine

1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine (PubChem CID 92759546) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine
PubChem CID92759546
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine
SMILESClc1ccc(N2CN(C[C@H]3CCCO3)CN=C2c2ccccc2)cc1
InChIInChI=1S/C20H22ClN3O/c21-17-8-10-18(11-9-17)24-15-23(13-19-7-4-12-25-19)14-22-20(24)16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2/t19-/m1/s1
InChIKeyDFSMJXMVKVSOHB-LJQANCHMSA-N
XLogP4.00
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine
CID 93488548
2-(2,4-dichlorophenyl)-1-(oxolan-2-ylmethyl)-6-phenyl-4,4-bis(trifluoromethyl)-1,3,5-triazine
CID 17344534
3-[benzyl(methyl)amino]-4-(4-chlorophenyl)-1-(oxolan-2-ylmethyl)pyrrole-2,5-dione
CID 110569337
4-(4-chlorophenyl)-5-(oxolan-2-ylmethyl)-3-phenyl-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 43855571
3-(difluoromethyl)-1-(oxolan-2-ylmethyl)-5-phenylpyrazole
CID 167764143
1-(oxolan-2-ylmethyl)-2,4,5-triphenylimidazole
CID 102110360
2-chloro-N-[5-oxo-1-(oxolan-2-ylmethyl)-2-phenyl-4-(trifluoromethyl)imidazol-4-yl]benzamide
CID 17344615
2-[[4-(4-chlorophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 2096628
(3aS,6aR)-2-benzyl-5-[[(2R)-oxolan-2-yl]methyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 126422720
4-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-1,2,4-triazole-5-thione
CID 40619169
N-[(4-chlorophenyl)methyl]-2-[1-(oxolan-2-ylmethyl)-5-phenylimidazol-2-yl]sulfanylacetamide
CID 46688536
2-[(4-chlorophenyl)methylsulfanyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-4-one
CID 7515458

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine?
The IUPAC name of 1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine (CID 92759546) is 1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine?
The canonical SMILES for 1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine is Clc1ccc(N2CN(C[C@H]3CCCO3)CN=C2c2ccccc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine?
The InChIKey is DFSMJXMVKVSOHB-LJQANCHMSA-N. The full InChI is InChI=1S/C20H22ClN3O/c21-17-8-10-18(11-9-17)24-15-23(13-19-7-4-12-25-19)14-22-20(24)16-5-2-1-3-6-16/h1-3,5-6,8-11,19H,4,7,12-15H2/t19-/m1/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine?
1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine has a molecular weight of 355.87 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine is sourced from PubChem (CID 92759546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).