(2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide

C17H22N4O4 — CID 120796164

IUPAC(2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide
SMILESCOc1cccc(-c2noc(C(C)NC(=O)[C@@H]3CC[C@H](CN)O3)n2)c1
InChIInChI=1S/C17H22N4O4/c1-10(19-16(22)14-7-6-13(9-18)24-14)17-20-15(21-25-17)11-4-3-5-12(8-11)23-2/h3-5,8,10,13-14H,6-7,9,18H2,1-2H3,(H,19,22)/t10?,13-,14+/m1/s1
InChIKeySVFSZEUXRIWCTA-ADSMYIAOSA-N
MW346.39 g/mol
LogP1.43
Rot. Bonds6

About (2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide

(2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide (PubChem CID 120796164) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is (2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide
PubChem CID120796164
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name(2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide
SMILESCOc1cccc(-c2noc(C(C)NC(=O)[C@@H]3CC[C@H](CN)O3)n2)c1
InChIInChI=1S/C17H22N4O4/c1-10(19-16(22)14-7-6-13(9-18)24-14)17-20-15(21-25-17)11-4-3-5-12(8-11)23-2/h3-5,8,10,13-14H,6-7,9,18H2,1-2H3,(H,19,22)/t10?,13-,14+/m1/s1
InChIKeySVFSZEUXRIWCTA-ADSMYIAOSA-N
XLogP1.43
TPSA112.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentane-1-carboxamide
CID 119817254
7-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]heptanamide
CID 119817246
(2R)-2-amino-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]propanamide;hydrochloride
CID 119342829
(2S,5R)-5-(aminomethyl)-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-2-carboxamide
CID 120796390
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119342812
(2S,5R)-5-(aminomethyl)-N-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120796389
(2S,5R)-5-(aminomethyl)-N-[(1S)-1-pyridin-3-ylethyl]oxolane-2-carboxamide
CID 120799038
(2S,5R)-5-(aminomethyl)-N-[[4-(3-methoxyphenyl)phenyl]methyl]oxolane-2-carboxamide
CID 120794968
(2S,5R)-5-(aminomethyl)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]oxolane-2-carboxamide
CID 120789046
(2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120795867
1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-2-ylmethyl)ethanamine
CID 86789830
N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(2-oxopiperidin-1-yl)acetamide
CID 136528859

Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide?
The IUPAC name of (2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide (CID 120796164) is (2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide?
The canonical SMILES for (2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide is COc1cccc(-c2noc(C(C)NC(=O)[C@@H]3CC[C@H](CN)O3)n2)c1.
What is the InChIKey of (2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide?
The InChIKey is SVFSZEUXRIWCTA-ADSMYIAOSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-10(19-16(22)14-7-6-13(9-18)24-14)17-20-15(21-25-17)11-4-3-5-12(8-11)23-2/h3-5,8,10,13-14H,6-7,9,18H2,1-2H3,(H,19,22)/t10?,13-,14+/m1/s1.
What are the key properties of (2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide?
(2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(aminomethyl)-N-[1-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]oxolane-2-carboxamide is sourced from PubChem (CID 120796164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).