N-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine

C23H25N5O — CID 102106032

IUPACN-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine
SMILESCC(C)(C)c1cnnc(Nc2ccccc2C2=N[C@H](Cc3ccccc3)CO2)n1
InChIInChI=1S/C23H25N5O/c1-23(2,3)20-14-24-28-22(27-20)26-19-12-8-7-11-18(19)21-25-17(15-29-21)13-16-9-5-4-6-10-16/h4-12,14,17H,13,15H2,1-3H3,(H,26,27,28)/t17-/m1/s1
InChIKeyFAVBEBGDADYHOH-QGZVFWFLSA-N
MW387.49 g/mol
LogP4.30
Rot. Bonds5

About N-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine

N-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine (PubChem CID 102106032) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound NameN-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine
PubChem CID102106032
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC NameN-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine
SMILESCC(C)(C)c1cnnc(Nc2ccccc2C2=N[C@H](Cc3ccccc3)CO2)n1
InChIInChI=1S/C23H25N5O/c1-23(2,3)20-14-24-28-22(27-20)26-19-12-8-7-11-18(19)21-25-17(15-29-21)13-16-9-5-4-6-10-16/h4-12,14,17H,13,15H2,1-3H3,(H,26,27,28)/t17-/m1/s1
InChIKeyFAVBEBGDADYHOH-QGZVFWFLSA-N
XLogP4.30
TPSA72.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine?
The IUPAC name of N-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine (CID 102106032) is N-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine.
What is the SMILES notation for N-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine?
The canonical SMILES for N-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine is CC(C)(C)c1cnnc(Nc2ccccc2C2=N[C@H](Cc3ccccc3)CO2)n1.
What is the InChIKey of N-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine?
The InChIKey is FAVBEBGDADYHOH-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H25N5O/c1-23(2,3)20-14-24-28-22(27-20)26-19-12-8-7-11-18(19)21-25-17(15-29-21)13-16-9-5-4-6-10-16/h4-12,14,17H,13,15H2,1-3H3,(H,26,27,28)/t17-/m1/s1.
What are the key properties of N-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine?
N-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine has a molecular weight of 387.49 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-tert-butyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 102106032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).