3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one

C22H21N3O3 — CID 166194575

IUPAC3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one
SMILESCC(NCc1ccc2c(c1)oc(=O)n2C)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C22H21N3O3/c1-15(17-6-8-18(9-7-17)27-19-4-3-11-23-14-19)24-13-16-5-10-20-21(12-16)28-22(26)25(20)2/h3-12,14-15,24H,13H2,1-2H3
InChIKeyRGZVMHGSXLDGFB-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.17
Rot. Bonds6

About 3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one

3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one (PubChem CID 166194575) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one
PubChem CID166194575
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one
SMILESCC(NCc1ccc2c(c1)oc(=O)n2C)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C22H21N3O3/c1-15(17-6-8-18(9-7-17)27-19-4-3-11-23-14-19)24-13-16-5-10-20-21(12-16)28-22(26)25(20)2/h3-12,14-15,24H,13H2,1-2H3
InChIKeyRGZVMHGSXLDGFB-UHFFFAOYSA-N
XLogP4.17
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-3-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]benzamide
CID 166209354
1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanamine;oxalic acid
CID 17382607
3-[[[(1R)-1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]amino]methyl]phenol
CID 95276770
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
2-methyl-N-[(4-pyridin-3-yloxyphenyl)methyl]propan-2-amine
CID 63069645
6-(methoxymethyl)-3-methyl-1,3-benzoxazol-2-one
CID 116932265
3-(4-butan-2-ylphenoxy)pyridine
CID 143794326
1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
N-[1-(3-pyridin-3-yloxyphenyl)ethyl]propan-1-amine
CID 79168443
N-[(3,4-dibromophenyl)methyl]-1-pyridin-3-ylethanamine
CID 115692975
6-[(2,3-diaminopropylamino)methyl]-3-methyl-1,3-benzoxazol-2-one
CID 115119749
N-[(4-propoxyphenyl)methyl]-1-pyridin-3-ylethanamine
CID 43181726

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one?
The IUPAC name of 3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one (CID 166194575) is 3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one is CC(NCc1ccc2c(c1)oc(=O)n2C)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of 3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one?
The InChIKey is RGZVMHGSXLDGFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-15(17-6-8-18(9-7-17)27-19-4-3-11-23-14-19)24-13-16-5-10-20-21(12-16)28-22(26)25(20)2/h3-12,14-15,24H,13H2,1-2H3.
What are the key properties of 3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one?
3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one has a molecular weight of 375.43 g/mol, XLogP of 4.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-[[1-(4-pyridin-3-yloxyphenyl)ethylamino]methyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 166194575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).