(3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine

C8H14N4O — CID 163148156

IUPAC(3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine
SMILESCc1noc([C@H]2C[C@H](N)CN2C)n1
InChIInChI=1S/C8H14N4O/c1-5-10-8(13-11-5)7-3-6(9)4-12(7)2/h6-7H,3-4,9H2,1-2H3/t6-,7+/m0/s1
InChIKeyMIWXKXSYVQATIB-NKWVEPMBSA-N
MW182.23 g/mol
LogP0.08
Rot. Bonds1

About (3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine

(3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine (PubChem CID 163148156) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is (3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine
PubChem CID163148156
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name(3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine
SMILESCc1noc([C@H]2C[C@H](N)CN2C)n1
InChIInChI=1S/C8H14N4O/c1-5-10-8(13-11-5)7-3-6(9)4-12(7)2/h6-7H,3-4,9H2,1-2H3/t6-,7+/m0/s1
InChIKeyMIWXKXSYVQATIB-NKWVEPMBSA-N
XLogP0.08
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine
CID 75111395
2-methoxy-N-[[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]methyl]ethanamine
CID 155245422
N-[(3R,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]propane-1-sulfonamide
CID 163160946
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63043501
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66033169
3-methyl-5-[(3R)-1-methylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 92845934
5-[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 90327701
5-chloro-6-[(3S)-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)piperazin-1-yl]pyrimidin-4-amine
CID 129482195
N-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]-4-phenylbenzamide
CID 28960954
1-methyl-5-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-3-amine
CID 112546553
4-methyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholine
CID 59556428
1-(3-fluorophenyl)-3-[(3S,5S)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-yl]urea
CID 25338703

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine?
The IUPAC name of (3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine (CID 163148156) is (3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine.
What is the SMILES notation for (3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine?
The canonical SMILES for (3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine is Cc1noc([C@H]2C[C@H](N)CN2C)n1.
What is the InChIKey of (3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine?
The InChIKey is MIWXKXSYVQATIB-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5-10-8(13-11-5)7-3-6(9)4-12(7)2/h6-7H,3-4,9H2,1-2H3/t6-,7+/m0/s1.
What are the key properties of (3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine?
(3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine has a molecular weight of 182.23 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5R)-1-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-amine is sourced from PubChem (CID 163148156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).