N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine

C18H19ClN2O2 — CID 42795809

IUPACN-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESCOc1ccccc1C1=NOC(CNCc2cccc(Cl)c2)C1
InChIInChI=1S/C18H19ClN2O2/c1-22-18-8-3-2-7-16(18)17-10-15(23-21-17)12-20-11-13-5-4-6-14(19)9-13/h2-9,15,20H,10-12H2,1H3
InChIKeyOEDZUVWICJPQPR-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.63
Rot. Bonds6

About N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine

N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (PubChem CID 42795809) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
PubChem CID42795809
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine
SMILESCOc1ccccc1C1=NOC(CNCc2cccc(Cl)c2)C1
InChIInChI=1S/C18H19ClN2O2/c1-22-18-8-3-2-7-16(18)17-10-15(23-21-17)12-20-11-13-5-4-6-14(19)9-13/h2-9,15,20H,10-12H2,1H3
InChIKeyOEDZUVWICJPQPR-UHFFFAOYSA-N
XLogP3.63
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[(3-methoxyphenyl)methyl]methanamine
CID 42815621
(5R)-5-(bromomethyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole
CID 99994007
N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493687
1-[3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 46137694
N-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 42790044
(2R)-1-[(3-chlorophenyl)methyl-[[(5S)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 99728447
(2S)-1-[(3-chlorophenyl)methyl-[[(5R)-3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-(2-methylphenoxy)propan-2-ol
CID 93177243
N-[(3-chlorophenyl)methyl]-2-(2-methoxyphenoxy)ethanamine
CID 39398937
1-benzyl-3-tert-butyl-1-[[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]urea
CID 42790373
N-[[3-(2-methoxyphenyl)phenyl]methyl]propan-1-amine
CID 54911743
N-benzyl-1-(3-pyridin-2-yl-4,5-dihydro-1,2-oxazol-5-yl)methanamine
CID 42815629
1-[(3-chlorophenyl)methyl-[[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]amino]-3-propan-2-yloxypropan-2-ol
CID 46014155

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine (CID 42795809) is N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is COc1ccccc1C1=NOC(CNCc2cccc(Cl)c2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
The InChIKey is OEDZUVWICJPQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-22-18-8-3-2-7-16(18)17-10-15(23-21-17)12-20-11-13-5-4-6-14(19)9-13/h2-9,15,20H,10-12H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine?
N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine has a molecular weight of 330.82 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-[3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methanamine is sourced from PubChem (CID 42795809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).