2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C17H25N5O3 — CID 71872589

IUPAC2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)N2CCC(N(C)Cc3ncc(C)o3)C2)on1
InChIInChI=1S/C17H25N5O3/c1-11-7-15(25-20-11)19-17(23)13(3)22-6-5-14(9-22)21(4)10-16-18-8-12(2)24-16/h7-8,13-14H,5-6,9-10H2,1-4H3,(H,19,23)
InChIKeyNGIQVYBXQTTWEU-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.81
Rot. Bonds6

About 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide

2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 71872589) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID71872589
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCc1cc(NC(=O)C(C)N2CCC(N(C)Cc3ncc(C)o3)C2)on1
InChIInChI=1S/C17H25N5O3/c1-11-7-15(25-20-11)19-17(23)13(3)22-6-5-14(9-22)21(4)10-16-18-8-12(2)24-16/h7-8,13-14H,5-6,9-10H2,1-4H3,(H,19,23)
InChIKeyNGIQVYBXQTTWEU-UHFFFAOYSA-N
XLogP1.81
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide (CID 71872589) is 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is Cc1cc(NC(=O)C(C)N2CCC(N(C)Cc3ncc(C)o3)C2)on1.
What is the InChIKey of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is NGIQVYBXQTTWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-11-7-15(25-20-11)19-17(23)13(3)22-6-5-14(9-22)21(4)10-16-18-8-12(2)24-16/h7-8,13-14H,5-6,9-10H2,1-4H3,(H,19,23).
What are the key properties of 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 347.42 g/mol, XLogP of 1.81, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 71872589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).