(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine

C17H27N5O2 — CID 96512179

IUPAC(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1noc(C)c1CN1CC[C@@H](N(C)Cc2noc(C(C)C)n2)C1
InChIInChI=1S/C17H27N5O2/c1-11(2)17-18-16(20-24-17)10-21(5)14-6-7-22(8-14)9-15-12(3)19-23-13(15)4/h11,14H,6-10H2,1-5H3/t14-/m1/s1
InChIKeyGCUWQPSRRFHAKE-CQSZACIVSA-N
MW333.44 g/mol
LogP2.50
Rot. Bonds6

About (3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine

(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (PubChem CID 96512179) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is (3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
PubChem CID96512179
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine
SMILESCc1noc(C)c1CN1CC[C@@H](N(C)Cc2noc(C(C)C)n2)C1
InChIInChI=1S/C17H27N5O2/c1-11(2)17-18-16(20-24-17)10-21(5)14-6-7-22(8-14)9-15-12(3)19-23-13(15)4/h11,14H,6-10H2,1-5H3/t14-/m1/s1
InChIKeyGCUWQPSRRFHAKE-CQSZACIVSA-N
XLogP2.50
TPSA71.43 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine (CID 96512179) is (3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is Cc1noc(C)c1CN1CC[C@@H](N(C)Cc2noc(C(C)C)n2)C1.
What is the InChIKey of (3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
The InChIKey is GCUWQPSRRFHAKE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-11(2)17-18-16(20-24-17)10-21(5)14-6-7-22(8-14)9-15-12(3)19-23-13(15)4/h11,14H,6-10H2,1-5H3/t14-/m1/s1.
What are the key properties of (3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine?
(3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine has a molecular weight of 333.44 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 96512179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).