3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide

C15H20ClN5O2 — CID 127877563

IUPAC3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1noc(Cl)c1CCC(=O)NCc1nnc(C2CCC2)n1C
InChIInChI=1S/C15H20ClN5O2/c1-9-11(14(16)23-20-9)6-7-13(22)17-8-12-18-19-15(21(12)2)10-4-3-5-10/h10H,3-8H2,1-2H3,(H,17,22)
InChIKeyQGYZVPSEEMRJLZ-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.28
Rot. Bonds6

About 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide

3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 127877563) has the molecular formula C15H20ClN5O2 and a molecular weight of 337.81 g/mol. Its IUPAC name is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID127877563
Molecular FormulaC15H20ClN5O2
Molecular Weight337.81 g/mol
Exact Mass337.13
IUPAC Name3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1noc(Cl)c1CCC(=O)NCc1nnc(C2CCC2)n1C
InChIInChI=1S/C15H20ClN5O2/c1-9-11(14(16)23-20-9)6-7-13(22)17-8-12-18-19-15(21(12)2)10-4-3-5-10/h10H,3-8H2,1-2H3,(H,17,22)
InChIKeyQGYZVPSEEMRJLZ-UHFFFAOYSA-N
XLogP2.28
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide (CID 127877563) is 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide is Cc1noc(Cl)c1CCC(=O)NCc1nnc(C2CCC2)n1C.
What is the InChIKey of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is QGYZVPSEEMRJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O2/c1-9-11(14(16)23-20-9)6-7-13(22)17-8-12-18-19-15(21(12)2)10-4-3-5-10/h10H,3-8H2,1-2H3,(H,17,22).
What are the key properties of 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide?
3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 337.81 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-3-methyl-1,2-oxazol-4-yl)-N-[(5-cyclobutyl-4-methyl-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 127877563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).