N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine

C23H16N2O — CID 170267058

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine
SMILESc1ccc2cc(Nc3ccc(-c4nc5ccccc5o4)cc3)ccc2c1
InChIInChI=1S/C23H16N2O/c1-2-6-18-15-20(14-9-16(18)5-1)24-19-12-10-17(11-13-19)23-25-21-7-3-4-8-22(21)26-23/h1-15,24H
InChIKeyJPRGIOLEIIVGIL-UHFFFAOYSA-N
MW336.39 g/mol
LogP6.39
Rot. Bonds3

About N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine

N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine (PubChem CID 170267058) has the molecular formula C23H16N2O and a molecular weight of 336.39 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine
PubChem CID170267058
Molecular FormulaC23H16N2O
Molecular Weight336.39 g/mol
Exact Mass336.13
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine
SMILESc1ccc2cc(Nc3ccc(-c4nc5ccccc5o4)cc3)ccc2c1
InChIInChI=1S/C23H16N2O/c1-2-6-18-15-20(14-9-16(18)5-1)24-19-12-10-17(11-13-19)23-25-21-7-3-4-8-22(21)26-23/h1-15,24H
InChIKeyJPRGIOLEIIVGIL-UHFFFAOYSA-N
XLogP6.39
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.39
LogP ≤ 56.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]-4-ethenylaniline
CID 166918117
N-phenyl-4-[4-(2-phenyl-1,3-benzoxazol-6-yl)phenyl]aniline
CID 170716724
1-N,4-N-dinaphthalen-2-ylbenzene-1,4-diamine
CID 7142
6-deuterio-2-naphthalen-2-yl-1,3-benzoxazole
CID 175983343
2-[4-[6-(4-naphthalen-2-ylphenyl)-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 170046632
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(4-anthracen-2-ylphenyl)phenyl]-N-[4-[4-(1,3-benzoxazol-2-yl)phenyl]phenyl]naphthalen-2-amine
CID 165150218
2-[4-[10-[4-(9,10-dinaphthalen-2-ylanthracen-2-yl)phenyl]anthracen-9-yl]phenyl]-1,3-benzoxazole
CID 58963337
N,N-bis(4-benzo[f][1,3]benzoxazol-2-ylphenyl)-4-(1,3-benzoxazol-2-yl)aniline
CID 163542114
2-[3-(1,3-benzoxazol-2-yl)-5-[4-(3,5-diphenylphenyl)-6-naphthalen-2-yl-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 176740351
2-[4-[4-(2-naphthalen-2-ylquinazolin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 147685695
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
CID 762888

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine (CID 170267058) is N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine is c1ccc2cc(Nc3ccc(-c4nc5ccccc5o4)cc3)ccc2c1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine?
The InChIKey is JPRGIOLEIIVGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O/c1-2-6-18-15-20(14-9-16(18)5-1)24-19-12-10-17(11-13-19)23-25-21-7-3-4-8-22(21)26-23/h1-15,24H.
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine?
N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine has a molecular weight of 336.39 g/mol, XLogP of 6.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]naphthalen-2-amine is sourced from PubChem (CID 170267058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).