N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

C21H27N3O3S — CID 55541755

IUPACN-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCN(Cc1ccc(OCc2cccs2)c(OC)c1)Cc1nc(C(C)C)no1
InChIInChI=1S/C21H27N3O3S/c1-5-24(13-20-22-21(15(2)3)23-27-20)12-16-8-9-18(19(11-16)25-4)26-14-17-7-6-10-28-17/h6-11,15H,5,12-14H2,1-4H3
InChIKeyRFYFSNFHRAPMKT-UHFFFAOYSA-N
MW401.53 g/mol
LogP4.86
Rot. Bonds10

About N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine

N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (PubChem CID 55541755) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
PubChem CID55541755
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC NameN-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine
SMILESCCN(Cc1ccc(OCc2cccs2)c(OC)c1)Cc1nc(C(C)C)no1
InChIInChI=1S/C21H27N3O3S/c1-5-24(13-20-22-21(15(2)3)23-27-20)12-16-8-9-18(19(11-16)25-4)26-14-17-7-6-10-28-17/h6-11,15H,5,12-14H2,1-4H3
InChIKeyRFYFSNFHRAPMKT-UHFFFAOYSA-N
XLogP4.86
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzoxazol-2-ylmethyl)-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]ethanamine
CID 55409199
4-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]benzamide
CID 17468464
2-[[4-(chloromethyl)-2-methoxyphenoxy]methyl]thiophene
CID 29272309
2-[[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]methyl]-4-methylphthalazin-1-one
CID 30002764
1-[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]butan-2-amine
CID 60908354
4-[3-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-2-hydroxypropoxy]benzonitrile
CID 55377753
2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]-N-(2-methylphenyl)acetamide
CID 8744955
N,N,N'-triethyl-N'-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanediamide
CID 56522009
4-ethoxy-N-ethyl-3-methoxy-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]benzamide
CID 27863365
2-amino-N-ethyl-N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]pentanamide
CID 119271670
(2S)-N-cyclopropyl-2-[ethyl-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]amino]propanamide
CID 8924044
1-[3-methoxy-4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanamine
CID 61495332

Frequently Asked Questions

What is the IUPAC name of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine (CID 55541755) is N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is CCN(Cc1ccc(OCc2cccs2)c(OC)c1)Cc1nc(C(C)C)no1.
What is the InChIKey of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
The InChIKey is RFYFSNFHRAPMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-5-24(13-20-22-21(15(2)3)23-27-20)12-16-8-9-18(19(11-16)25-4)26-14-17-7-6-10-28-17/h6-11,15H,5,12-14H2,1-4H3.
What are the key properties of N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine?
N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine has a molecular weight of 401.53 g/mol, XLogP of 4.86, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methoxy-4-(thiophen-2-ylmethoxy)phenyl]methyl]-N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 55541755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).