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

C17H25N5O3 — CID 71928422

IUPAC3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCC(N(C)Cc3ncc(C)o3)C2)no1
InChIInChI=1S/C17H25N5O3/c1-12-8-15(20-25-12)19-16(23)5-7-22-6-4-14(10-22)21(3)11-17-18-9-13(2)24-17/h8-9,14H,4-7,10-11H2,1-3H3,(H,19,20,23)
InChIKeyNIRXNKXHBAWCQS-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.81
Rot. Bonds7

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

3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 71928422) has the molecular formula C17H25N5O3 and a molecular weight of 347.42 g/mol. Its IUPAC name is 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID71928422
Molecular FormulaC17H25N5O3
Molecular Weight347.42 g/mol
Exact Mass347.20
IUPAC Name3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCN2CCC(N(C)Cc3ncc(C)o3)C2)no1
InChIInChI=1S/C17H25N5O3/c1-12-8-15(20-25-12)19-16(23)5-7-22-6-4-14(10-22)21(3)11-17-18-9-13(2)24-17/h8-9,14H,4-7,10-11H2,1-3H3,(H,19,20,23)
InChIKeyNIRXNKXHBAWCQS-UHFFFAOYSA-N
XLogP1.81
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
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 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 71928422) is 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCN2CCC(N(C)Cc3ncc(C)o3)C2)no1.
What is the InChIKey of 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is NIRXNKXHBAWCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O3/c1-12-8-15(20-25-12)19-16(23)5-7-22-6-4-14(10-22)21(3)11-17-18-9-13(2)24-17/h8-9,14H,4-7,10-11H2,1-3H3,(H,19,20,23).
What are the key properties of 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 347.42 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 71928422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).