N-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine

C22H21N3O2 — CID 167466011

IUPACN-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine
SMILESCOc1cccc(CN(Cc2ccc3ncccc3c2)c2nc(C)co2)c1
InChIInChI=1S/C22H21N3O2/c1-16-15-27-22(24-16)25(13-17-5-3-7-20(12-17)26-2)14-18-8-9-21-19(11-18)6-4-10-23-21/h3-12,15H,13-14H2,1-2H3
InChIKeyDABSSDRDAJYECB-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.75
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine

N-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine (PubChem CID 167466011) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine
PubChem CID167466011
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine
SMILESCOc1cccc(CN(Cc2ccc3ncccc3c2)c2nc(C)co2)c1
InChIInChI=1S/C22H21N3O2/c1-16-15-27-22(24-16)25(13-17-5-3-7-20(12-17)26-2)14-18-8-9-21-19(11-18)6-4-10-23-21/h3-12,15H,13-14H2,1-2H3
InChIKeyDABSSDRDAJYECB-UHFFFAOYSA-N
XLogP4.75
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-methoxyphenyl)methyl]quinoline
CID 172878073
4-[(dimethylamino)methyl]-N-[(3-methoxyphenyl)methyl]-N-(quinolin-7-ylmethyl)aniline
CID 167466317
N-[(3-methoxyphenyl)methyl]-N-methyl-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42291343
N-[(3-methoxyphenyl)methyl]-2-(piperidin-1-ylmethyl)-N-(quinolin-7-ylmethyl)pyridin-4-amine
CID 167465398
4-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-amine
CID 167465863
N,N-bis[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethyl)-1,3-oxazol-2-amine
CID 167465845
ethene;6-methoxyquinoline
CID 174599262
N-[(3-methoxyphenyl)methyl]-4-(2-morpholin-4-ylethoxymethyl)-N-(quinolin-7-ylmethyl)aniline
CID 167466230
3-N-ethyl-3-N-(quinolin-6-ylmethyl)benzene-1,3-diamine
CID 63229505
N-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-[1,3]thiazolo[5,4-b]pyridin-2-amine;hydrochloride
CID 24736335
N-[[3-(2-methoxyethoxy)phenyl]methyl]-N-[(3-methoxyphenyl)methyl]-4-(morpholin-4-ylmethyl)-1,3-oxazol-2-amine
CID 167465454
4-[2-[3-(dimethylamino)phenoxy]ethoxymethyl]-N-[(4-imidazol-1-ylphenyl)methyl]-N-[(3-methoxyphenyl)methyl]-1,3-oxazol-2-amine
CID 167466298

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine (CID 167466011) is N-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine is COc1cccc(CN(Cc2ccc3ncccc3c2)c2nc(C)co2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine?
The InChIKey is DABSSDRDAJYECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-16-15-27-22(24-16)25(13-17-5-3-7-20(12-17)26-2)14-18-8-9-21-19(11-18)6-4-10-23-21/h3-12,15H,13-14H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine?
N-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine has a molecular weight of 359.43 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-methyl-N-(quinolin-6-ylmethyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 167466011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).