3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide

C15H20N6O3 — CID 167964489

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1n[nH]nc1C(=O)N1CCCC1
InChIInChI=1S/C15H20N6O3/c1-9-11(10(2)24-19-9)5-6-12(22)16-14-13(17-20-18-14)15(23)21-7-3-4-8-21/h3-8H2,1-2H3,(H2,16,17,18,20,22)
InChIKeyMTGPUPZYFBZZND-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.22
Rot. Bonds5

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide (PubChem CID 167964489) has the molecular formula C15H20N6O3 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide
PubChem CID167964489
Molecular FormulaC15H20N6O3
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide
SMILESCc1noc(C)c1CCC(=O)Nc1n[nH]nc1C(=O)N1CCCC1
InChIInChI=1S/C15H20N6O3/c1-9-11(10(2)24-19-9)5-6-12(22)16-14-13(17-20-18-14)15(23)21-7-3-4-8-21/h3-8H2,1-2H3,(H2,16,17,18,20,22)
InChIKeyMTGPUPZYFBZZND-UHFFFAOYSA-N
XLogP1.22
TPSA117.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 86812035
N-(3,4-diethyl-1-methyl-1H-pyrazol-5-yl)-3-(3,5-dimethylisoxazol-4-yl)propanamide
CID 132408870

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide (CID 167964489) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide is Cc1noc(C)c1CCC(=O)Nc1n[nH]nc1C(=O)N1CCCC1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide?
The InChIKey is MTGPUPZYFBZZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O3/c1-9-11(10(2)24-19-9)5-6-12(22)16-14-13(17-20-18-14)15(23)21-7-3-4-8-21/h3-8H2,1-2H3,(H2,16,17,18,20,22).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide has a molecular weight of 332.36 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]propanamide is sourced from PubChem (CID 167964489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).