N-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine

C22H20N2O — CID 102300839

IUPACN-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine
SMILESC[C@H](c1ccccc1)N(C)c1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C22H20N2O/c1-16(17-9-5-3-6-10-17)24(2)22-23-20-15-19(13-14-21(20)25-22)18-11-7-4-8-12-18/h3-16H,1-2H3/t16-/m1/s1
InChIKeyZSNYRWDNRVMAOS-MRXNPFEDSA-N
MW328.42 g/mol
LogP5.69
Rot. Bonds4

About N-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine

N-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine (PubChem CID 102300839) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is N-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine
PubChem CID102300839
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC NameN-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine
SMILESC[C@H](c1ccccc1)N(C)c1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C22H20N2O/c1-16(17-9-5-3-6-10-17)24(2)22-23-20-15-19(13-14-21(20)25-22)18-11-7-4-8-12-18/h3-16H,1-2H3/t16-/m1/s1
InChIKeyZSNYRWDNRVMAOS-MRXNPFEDSA-N
XLogP5.69
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine (CID 102300839) is N-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine is C[C@H](c1ccccc1)N(C)c1nc2cc(-c3ccccc3)ccc2o1.
What is the InChIKey of N-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine?
The InChIKey is ZSNYRWDNRVMAOS-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H20N2O/c1-16(17-9-5-3-6-10-17)24(2)22-23-20-15-19(13-14-21(20)25-22)18-11-7-4-8-12-18/h3-16H,1-2H3/t16-/m1/s1.
What are the key properties of N-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine?
N-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine has a molecular weight of 328.42 g/mol, XLogP of 5.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-phenyl-N-[(1R)-1-phenylethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 102300839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).