(1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol

C17H23N3O3 — CID 97258783

IUPAC(1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol
SMILESCOc1cccc(-c2noc(NCC3([C@H](O)C(C)C)CC3)n2)c1
InChIInChI=1S/C17H23N3O3/c1-11(2)14(21)17(7-8-17)10-18-16-19-15(20-23-16)12-5-4-6-13(9-12)22-3/h4-6,9,11,14,21H,7-8,10H2,1-3H3,(H,18,19,20)/t14-/m1/s1
InChIKeyICJJRUCQBRUPKN-CQSZACIVSA-N
MW317.39 g/mol
LogP2.95
Rot. Bonds7

About (1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol

(1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol (PubChem CID 97258783) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol
PubChem CID97258783
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol
SMILESCOc1cccc(-c2noc(NCC3([C@H](O)C(C)C)CC3)n2)c1
InChIInChI=1S/C17H23N3O3/c1-11(2)14(21)17(7-8-17)10-18-16-19-15(20-23-16)12-5-4-6-13(9-12)22-3/h4-6,9,11,14,21H,7-8,10H2,1-3H3,(H,18,19,20)/t14-/m1/s1
InChIKeyICJJRUCQBRUPKN-CQSZACIVSA-N
XLogP2.95
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxyphenyl)-N-(3-methylbutyl)-1,2,4-oxadiazol-5-amine
CID 46342240
3-(3-methoxyphenyl)-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 46342235
2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]-1-(1-methylpyrazol-4-yl)ethanol
CID 133323581
(2S)-2-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]propanoic acid
CID 167843922
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342229
N-(furan-2-ylmethyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 46342231
3-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133319455
methyl N-[4-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]carbamate
CID 133317526
3-(3-methoxyphenyl)-N-[(4-pyridin-3-ylphenyl)methyl]-1,2,4-oxadiazol-5-amine
CID 133332822
N-(3,5-dimethylphenyl)-3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 71686712
N-[3-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]phenyl]butanamide
CID 133317401
3-(3-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-amine
CID 20952768

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol?
The IUPAC name of (1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol (CID 97258783) is (1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol.
What is the SMILES notation for (1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol?
The canonical SMILES for (1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol is COc1cccc(-c2noc(NCC3([C@H](O)C(C)C)CC3)n2)c1.
What is the InChIKey of (1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol?
The InChIKey is ICJJRUCQBRUPKN-CQSZACIVSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11(2)14(21)17(7-8-17)10-18-16-19-15(20-23-16)12-5-4-6-13(9-12)22-3/h4-6,9,11,14,21H,7-8,10H2,1-3H3,(H,18,19,20)/t14-/m1/s1.
What are the key properties of (1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol?
(1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol has a molecular weight of 317.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-[[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]amino]methyl]cyclopropyl]-2-methylpropan-1-ol is sourced from PubChem (CID 97258783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).