N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine

C17H18N2O3 — CID 133390192

IUPACN-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine
SMILESCOc1cccc(COCCNc2nc3ccccc3o2)c1
InChIInChI=1S/C17H18N2O3/c1-20-14-6-4-5-13(11-14)12-21-10-9-18-17-19-15-7-2-3-8-16(15)22-17/h2-8,11H,9-10,12H2,1H3,(H,18,19)
InChIKeyPGFYBYHYVDSMDV-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.47
Rot. Bonds7

About N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine

N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine (PubChem CID 133390192) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine
PubChem CID133390192
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine
SMILESCOc1cccc(COCCNc2nc3ccccc3o2)c1
InChIInChI=1S/C17H18N2O3/c1-20-14-6-4-5-13(11-14)12-21-10-9-18-17-19-15-7-2-3-8-16(15)22-17/h2-8,11H,9-10,12H2,1H3,(H,18,19)
InChIKeyPGFYBYHYVDSMDV-UHFFFAOYSA-N
XLogP3.47
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzothiazol-2-amine
CID 133390194
N-[(6-methoxynaphthalen-2-yl)methyl]-1,3-benzoxazol-2-amine
CID 36597653
N-[2-[(3-methoxyphenyl)methoxy]ethyl]quinazolin-4-amine
CID 133413555
N-[3-(2,5-dimethoxyphenyl)propyl]-1,3-benzoxazol-2-amine
CID 133405981
4-[2-[(3-methoxyphenyl)methoxy]ethylamino]quinoline-2-carbonitrile
CID 133390220
N-[2-[(3-methoxyphenyl)methoxy]ethyl]pyrido[2,3-b]pyrazin-6-amine
CID 133390223
3-fluoro-N-[2-[(3-methoxyphenyl)methoxy]ethyl]aniline
CID 62565551
N-[3-(2-methylpropoxy)propyl]-1,3-benzoxazol-2-amine
CID 103609074
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-[2-(1,3-benzoxazol-2-yl)ethyl]-3-(3-methoxyphenyl)propanamide
CID 110711831
methyl 3-(1,3-benzoxazol-2-ylamino)propanoate
CID 47277708
N-[[4-(ethoxymethyl)phenyl]methyl]-1,3-benzoxazol-2-amine
CID 34059746

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine (CID 133390192) is N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine is COc1cccc(COCCNc2nc3ccccc3o2)c1.
What is the InChIKey of N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine?
The InChIKey is PGFYBYHYVDSMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-20-14-6-4-5-13(11-14)12-21-10-9-18-17-19-15-7-2-3-8-16(15)22-17/h2-8,11H,9-10,12H2,1H3,(H,18,19).
What are the key properties of N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine?
N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine has a molecular weight of 298.34 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methoxyphenyl)methoxy]ethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 133390192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).