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

C17H25N5O3 — CID 124888877

IUPAC(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)o1
InChIInChI=1S/C17H25N5O3/c1-10(2)16-19-14(20-25-16)9-21(5)13-6-7-22(8-13)17(23)15-11(3)18-12(4)24-15/h10,13H,6-9H2,1-5H3/t13-/m1/s1
InChIKeyOBTJQDOZHCIZLV-CYBMUJFWSA-N
MW347.42 g/mol
LogP2.14
Rot. Bonds5

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

(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone (PubChem CID 124888877) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone
PubChem CID124888877
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone
SMILESCc1nc(C)c(C(=O)N2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)o1
InChIInChI=1S/C17H25N5O3/c1-10(2)16-19-14(20-25-16)9-21(5)13-6-7-22(8-13)17(23)15-11(3)18-12(4)24-15/h10,13H,6-9H2,1-5H3/t13-/m1/s1
InChIKeyOBTJQDOZHCIZLV-CYBMUJFWSA-N
XLogP2.14
TPSA88.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone (CID 124888877) is (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone is Cc1nc(C)c(C(=O)N2CC[C@@H](N(C)Cc3noc(C(C)C)n3)C2)o1.
What is the InChIKey of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone?
The InChIKey is OBTJQDOZHCIZLV-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-10(2)16-19-14(20-25-16)9-21(5)13-6-7-22(8-13)17(23)15-11(3)18-12(4)24-15/h10,13H,6-9H2,1-5H3/t13-/m1/s1.
What are the key properties of (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone?
(2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone has a molecular weight of 347.42 g/mol, XLogP of 2.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethyl-1,3-oxazol-5-yl)-[(3R)-3-[methyl-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]amino]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 124888877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).