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

C32H29N3O2 — CID 59910326

IUPAC1-[(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
SMILESc1ccc([C@H]2N=C(CNCC3=N[C@H](c4ccccc4)[C@H](c4ccccc4)O3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C32H29N3O2/c1-5-13-23(14-6-1)29-31(25-17-9-3-10-18-25)36-27(34-29)21-33-22-28-35-30(24-15-7-2-8-16-24)32(37-28)26-19-11-4-12-20-26/h1-20,29-33H,21-22H2/t29-,30-,31+,32+/m1/s1
InChIKeyGWKGVSHKPDPNSQ-ZRTHHSRSSA-N
MW487.60 g/mol
LogP6.40
Rot. Bonds8

About 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-[(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 (PubChem CID 59910326) has the molecular formula C32H29N3O2 and a molecular weight of 487.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[(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
PubChem CID59910326
Molecular FormulaC32H29N3O2
Molecular Weight487.60 g/mol
Exact Mass487.23
IUPAC Name1-[(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
SMILESc1ccc([C@H]2N=C(CNCC3=N[C@H](c4ccccc4)[C@H](c4ccccc4)O3)O[C@H]2c2ccccc2)cc1
InChIInChI=1S/C32H29N3O2/c1-5-13-23(14-6-1)29-31(25-17-9-3-10-18-25)36-27(34-29)21-33-22-28-35-30(24-15-7-2-8-16-24)32(37-28)26-19-11-4-12-20-26/h1-20,29-33H,21-22H2/t29-,30-,31+,32+/m1/s1
InChIKeyGWKGVSHKPDPNSQ-ZRTHHSRSSA-N
XLogP6.40
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.60
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 59910326) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc([C@H]2N=C(CNCC3=N[C@H](c4ccccc4)[C@H](c4ccccc4)O3)O[C@H]2c2ccccc2)cc1.
What is the InChIKey of 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?
The InChIKey is GWKGVSHKPDPNSQ-ZRTHHSRSSA-N. The full InChI is InChI=1S/C32H29N3O2/c1-5-13-23(14-6-1)29-31(25-17-9-3-10-18-25)36-27(34-29)21-33-22-28-35-30(24-15-7-2-8-16-24)32(37-28)26-19-11-4-12-20-26/h1-20,29-33H,21-22H2/t29-,30-,31+,32+/m1/s1.
What are the key properties of 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-[(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 has a molecular weight of 487.60 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59910326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).