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

C22H25N3O2 — CID 59919091

IUPAC1-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
SMILESC[C@@H]1OC(CNCC2=N[C@@H](c3ccccc3)[C@@H](C)O2)=N[C@@H]1c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-15-21(17-9-5-3-6-10-17)24-19(26-15)13-23-14-20-25-22(16(2)27-20)18-11-7-4-8-12-18/h3-12,15-16,21-23H,13-14H2,1-2H3/t15-,16+,21-,22+
InChIKeyJQRJGZWNOBCOKG-NLZGTENKSA-N
MW363.46 g/mol
LogP3.69
Rot. Bonds6

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

1-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine (PubChem CID 59919091) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 1-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine.

Molecular Properties

Compound Name1-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
PubChem CID59919091
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name1-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine
SMILESC[C@@H]1OC(CNCC2=N[C@@H](c3ccccc3)[C@@H](C)O2)=N[C@@H]1c1ccccc1
InChIInChI=1S/C22H25N3O2/c1-15-21(17-9-5-3-6-10-17)24-19(26-15)13-23-14-20-25-22(16(2)27-20)18-11-7-4-8-12-18/h3-12,15-16,21-23H,13-14H2,1-2H3/t15-,16+,21-,22+
InChIKeyJQRJGZWNOBCOKG-NLZGTENKSA-N
XLogP3.69
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine?
The IUPAC name of 1-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine (CID 59919091) is 1-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine.
What is the SMILES notation for 1-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine?
The canonical SMILES for 1-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine is C[C@@H]1OC(CNCC2=N[C@@H](c3ccccc3)[C@@H](C)O2)=N[C@@H]1c1ccccc1.
What is the InChIKey of 1-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine?
The InChIKey is JQRJGZWNOBCOKG-NLZGTENKSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-21(17-9-5-3-6-10-17)24-19(26-15)13-23-14-20-25-22(16(2)27-20)18-11-7-4-8-12-18/h3-12,15-16,21-23H,13-14H2,1-2H3/t15-,16+,21-,22+.
What are the key properties of 1-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine?
1-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine has a molecular weight of 363.46 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5R)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[[(4R,5S)-5-methyl-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]methyl]methanamine is sourced from PubChem (CID 59919091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).