(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine

C23H28N4O3 — CID 34875886

IUPAC(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
SMILESCOc1ccc(-c2nnc([C@H](C)N(C)Cc3ccccc3N3CCOCC3)o2)cc1
InChIInChI=1S/C23H28N4O3/c1-17(22-24-25-23(30-22)18-8-10-20(28-3)11-9-18)26(2)16-19-6-4-5-7-21(19)27-12-14-29-15-13-27/h4-11,17H,12-16H2,1-3H3/t17-/m0/s1
InChIKeyOJIAJBYVIPWIGS-KRWDZBQOSA-N
MW408.50 g/mol
LogP3.77
Rot. Bonds7

About (1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine

(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine (PubChem CID 34875886) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is (1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
PubChem CID34875886
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
SMILESCOc1ccc(-c2nnc([C@H](C)N(C)Cc3ccccc3N3CCOCC3)o2)cc1
InChIInChI=1S/C23H28N4O3/c1-17(22-24-25-23(30-22)18-8-10-20(28-3)11-9-18)26(2)16-19-6-4-5-7-21(19)27-12-14-29-15-13-27/h4-11,17H,12-16H2,1-3H3/t17-/m0/s1
InChIKeyOJIAJBYVIPWIGS-KRWDZBQOSA-N
XLogP3.77
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
CID 47012873
N-(4-methoxyphenyl)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]propanamide
CID 17491426
(1R)-N-methyl-N-[(2-methylphenyl)methyl]-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 9450761
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine
CID 34914349
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 157084252
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-3H-isoindol-1-one
CID 162511000
N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 8770910
2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]phenol
CID 36839855
2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 26613341
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
N,2-dimethyl-N-[(2-morpholin-4-ylphenyl)methyl]pyrazole-3-sulfonamide
CID 127878923
2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 40972464

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
The IUPAC name of (1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine (CID 34875886) is (1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
The canonical SMILES for (1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine is COc1ccc(-c2nnc([C@H](C)N(C)Cc3ccccc3N3CCOCC3)o2)cc1.
What is the InChIKey of (1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
The InChIKey is OJIAJBYVIPWIGS-KRWDZBQOSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17(22-24-25-23(30-22)18-8-10-20(28-3)11-9-18)26(2)16-19-6-4-5-7-21(19)27-12-14-29-15-13-27/h4-11,17H,12-16H2,1-3H3/t17-/m0/s1.
What are the key properties of (1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine?
(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine has a molecular weight of 408.50 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 34875886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).