1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine

C22H21N3O3 — CID 118905097

IUPAC1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(-c2nc3cc(OCc4ccc(OC)cn4)ccc3o2)c1
InChIInChI=1S/C22H21N3O3/c1-23-12-15-4-3-5-16(10-15)22-25-20-11-18(8-9-21(20)28-22)27-14-17-6-7-19(26-2)13-24-17/h3-11,13,23H,12,14H2,1-2H3
InChIKeyGHUQUEVTPNHSAL-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.20
Rot. Bonds7

About 1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine

1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine (PubChem CID 118905097) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine
PubChem CID118905097
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine
SMILESCNCc1cccc(-c2nc3cc(OCc4ccc(OC)cn4)ccc3o2)c1
InChIInChI=1S/C22H21N3O3/c1-23-12-15-4-3-5-16(10-15)22-25-20-11-18(8-9-21(20)28-22)27-14-17-6-7-19(26-2)13-24-17/h3-11,13,23H,12,14H2,1-2H3
InChIKeyGHUQUEVTPNHSAL-UHFFFAOYSA-N
XLogP4.20
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine with MolForge

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Related Compounds

6-[[2-[3-(methylaminomethyl)phenyl]-1,3-benzoxazol-5-yl]oxymethyl]pyridin-3-ol
CID 118913258
2-(1-benzofuran-2-yl)-5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazole
CID 118905509
5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-(trifluoromethyl)-3-pyridinyl]-1,3-benzoxazole
CID 118905431
5-[[5-(methoxymethoxy)-2-pyridinyl]methoxy]-2-(6-methyl-3-pyridinyl)-1,3-benzoxazole
CID 166644722
5-[(4-methoxyphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 118905169
5-[[5-(ethoxymethoxy)-2-pyridinyl]methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 159177911
1-[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357642
1-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]-N-methylmethanamine
CID 82357631
N-methyl-5-[5-[(5-methyl-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridine-2-carboxamide
CID 157274002
2-[2-[2-[2-[2-[[6-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)oxymethyl]-3-pyridinyl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 177055878
5-[(5-butylpyrazin-2-yl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 153469818
5-[(4-methylphenyl)methoxy]-2-pyridin-3-yl-1,3-benzoxazole
CID 153469802

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine?
The IUPAC name of 1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine (CID 118905097) is 1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine is CNCc1cccc(-c2nc3cc(OCc4ccc(OC)cn4)ccc3o2)c1.
What is the InChIKey of 1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine?
The InChIKey is GHUQUEVTPNHSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-23-12-15-4-3-5-16(10-15)22-25-20-11-18(8-9-21(20)28-22)27-14-17-6-7-19(26-2)13-24-17/h3-11,13,23H,12,14H2,1-2H3.
What are the key properties of 1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine?
1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine has a molecular weight of 375.43 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[(5-methoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]phenyl]-N-methylmethanamine is sourced from PubChem (CID 118905097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).