N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C19H27N3O3 — CID 94402643

IUPACN-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCCc1noc(CN(Cc2ccccc2OC)C[C@@H]2CCCO2)n1
InChIInChI=1S/C19H27N3O3/c1-3-7-18-20-19(25-21-18)14-22(13-16-9-6-11-24-16)12-15-8-4-5-10-17(15)23-2/h4-5,8,10,16H,3,6-7,9,11-14H2,1-2H3/t16-/m0/s1
InChIKeyKBIYUILIYDZPDA-INIZCTEOSA-N
MW345.44 g/mol
LogP3.21
Rot. Bonds9

About N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine

N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 94402643) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
PubChem CID94402643
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine
SMILESCCCc1noc(CN(Cc2ccccc2OC)C[C@@H]2CCCO2)n1
InChIInChI=1S/C19H27N3O3/c1-3-7-18-20-19(25-21-18)14-22(13-16-9-6-11-24-16)12-15-8-4-5-10-17(15)23-2/h4-5,8,10,16H,3,6-7,9,11-14H2,1-2H3/t16-/m0/s1
InChIKeyKBIYUILIYDZPDA-INIZCTEOSA-N
XLogP3.21
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 51964028
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 95292421
N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]-N-(pyridin-2-ylmethyl)methanamine
CID 95275137
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 51493246
N-[(2-methoxyphenyl)methyl]-N-[(3-methylphenyl)methyl]-1-(oxolan-2-yl)methanamine
CID 60500846
5-[[(2-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-1,3-thiazol-2-amine
CID 120898761
N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 51497422
2-[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]acetamide
CID 94402680
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 97189206
N-[(2-methoxyphenyl)methyl]-N-[(2-morpholin-4-ylpyrimidin-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 51497416
3-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]chromen-4-one
CID 51497390
N-[4-[[(2-methoxyphenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]phenyl]acetamide
CID 51497374

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 94402643) is N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is CCCc1noc(CN(Cc2ccccc2OC)C[C@@H]2CCCO2)n1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
The InChIKey is KBIYUILIYDZPDA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-3-7-18-20-19(25-21-18)14-22(13-16-9-6-11-24-16)12-15-8-4-5-10-17(15)23-2/h4-5,8,10,16H,3,6-7,9,11-14H2,1-2H3/t16-/m0/s1.
What are the key properties of N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine?
N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 345.44 g/mol, XLogP of 3.21, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 94402643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).