N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine

C19H16N2O2 — CID 36597653

IUPACN-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCOc1ccc2cc(CNc3nc4ccccc4o3)ccc2c1
InChIInChI=1S/C19H16N2O2/c1-22-16-9-8-14-10-13(6-7-15(14)11-16)12-20-19-21-17-4-2-3-5-18(17)23-19/h2-11H,12H2,1H3,(H,20,21)
InChIKeyXOKRDAYWMRWFLC-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.60
Rot. Bonds4

About N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine

N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 36597653) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine
PubChem CID36597653
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC NameN-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCOc1ccc2cc(CNc3nc4ccccc4o3)ccc2c1
InChIInChI=1S/C19H16N2O2/c1-22-16-9-8-14-10-13(6-7-15(14)11-16)12-20-19-21-17-4-2-3-5-18(17)23-19/h2-11H,12H2,1H3,(H,20,21)
InChIKeyXOKRDAYWMRWFLC-UHFFFAOYSA-N
XLogP4.60
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1,3-benzoxazol-2-amine
CID 60715920
N-[(2-methoxy-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
CID 24656847
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
CID 133275381
N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
CID 34059746
N-[3-(2,5-dimethoxyphenyl)propyl]-1,3-benzoxazol-2-amine
CID 133405981
3-[(1,3-benzoxazol-2-ylamino)methyl]phenol
CID 22241271
N-[(3-fluorophenyl)methyl]-1,3-benzoxazol-2-amine
CID 47170554
N-(1,3-benzodioxol-5-ylmethyl)-1,3-benzoxazol-2-amine
CID 33286552
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine
CID 133390192
4-fluoro-N-[(4-methoxyphenyl)methyl]-1,3-benzoxazol-2-amine
CID 100690013
N-[(6-methoxynaphthalen-2-yl)methyl]-1-phenylmethanamine
CID 18505307
N-[(3,4-dichlorophenyl)methyl]-N'-(6-methoxy-1,3-benzoxazol-2-yl)propane-1,3-diamine
CID 70691660

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine (CID 36597653) is N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine is COc1ccc2cc(CNc3nc4ccccc4o3)ccc2c1.
What is the InChIKey of N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is XOKRDAYWMRWFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c1-22-16-9-8-14-10-13(6-7-15(14)11-16)12-20-19-21-17-4-2-3-5-18(17)23-19/h2-11H,12H2,1H3,(H,20,21).
What are the key properties of N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine?
N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 304.35 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 36597653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).