[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

C18H21N3O4 — CID 129328005

IUPAC[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCOc1cccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@@H]2c2nnc(C)o2)c1
InChIInChI=1S/C18H21N3O4/c1-11-19-20-17(25-11)16-10-24-7-6-21(16)18(22)15-9-14(15)12-4-3-5-13(8-12)23-2/h3-5,8,14-16H,6-7,9-10H2,1-2H3/t14-,15-,16+/m0/s1
InChIKeyXRRFFVRPNSIJSX-HRCADAONSA-N
MW343.38 g/mol
LogP2.09
Rot. Bonds4

About [(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone

[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (PubChem CID 129328005) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is [(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
PubChem CID129328005
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
SMILESCOc1cccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@@H]2c2nnc(C)o2)c1
InChIInChI=1S/C18H21N3O4/c1-11-19-20-17(25-11)16-10-24-7-6-21(16)18(22)15-9-14(15)12-4-3-5-13(8-12)23-2/h3-5,8,14-16H,6-7,9-10H2,1-2H3/t14-,15-,16+/m0/s1
InChIKeyXRRFFVRPNSIJSX-HRCADAONSA-N
XLogP2.09
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone 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

2-(2,6-dimethylphenoxy)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 128967184
1H-indol-6-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129474082
4-(3-methoxyphenyl)oxane-3-carboxylic acid
CID 84798102
3-(3-methoxyphenyl)oxane-4-carboxylic acid
CID 84798105
1-[(1S,2S)-2-(3-methoxyphenyl)cyclopropyl]ethanone
CID 28912388
3-indol-1-yl-1-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129472880
1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone
CID 129472115
3-(1H-indol-5-yl)-1-[(3S)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129326138
3-(1H-indol-5-yl)-1-[3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]propan-1-one
CID 129004636
(4-cyclopropylpiperazin-1-yl)-[2-(3-methoxyphenyl)cyclopropyl]methanone
CID 71878323
[(1R,2R)-2-(furan-2-yl)cyclopropyl]-[(2S)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 124860048
(3aS,7aS)-2-[2-(3-methoxyphenyl)cyclopropanecarbonyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 120627547

Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The IUPAC name of [(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone (CID 129328005) is [(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone.
What is the SMILES notation for [(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The canonical SMILES for [(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@@H]2c2nnc(C)o2)c1.
What is the InChIKey of [(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
The InChIKey is XRRFFVRPNSIJSX-HRCADAONSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-19-20-17(25-11)16-10-24-7-6-21(16)18(22)15-9-14(15)12-4-3-5-13(8-12)23-2/h3-5,8,14-16H,6-7,9-10H2,1-2H3/t14-,15-,16+/m0/s1.
What are the key properties of [(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone?
[(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone has a molecular weight of 343.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-(3-methoxyphenyl)cyclopropyl]-[(3R)-3-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 129328005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).