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

C19H22N6O2 — CID 166310782

IUPACN-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
SMILESCc1ncc(CN2CC(NC(=O)CCc3nncn3-c3ccccc3)C2)o1
InChIInChI=1S/C19H22N6O2/c1-14-20-9-17(27-14)12-24-10-15(11-24)22-19(26)8-7-18-23-21-13-25(18)16-5-3-2-4-6-16/h2-6,9,13,15H,7-8,10-12H2,1H3,(H,22,26)
InChIKeyFBBVCCHFLZXNAK-UHFFFAOYSA-N
MW366.43 g/mol
LogP1.50
Rot. Bonds7

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

N-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 166310782) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is N-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
PubChem CID166310782
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC NameN-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide
SMILESCc1ncc(CN2CC(NC(=O)CCc3nncn3-c3ccccc3)C2)o1
InChIInChI=1S/C19H22N6O2/c1-14-20-9-17(27-14)12-24-10-15(11-24)22-19(26)8-7-18-23-21-13-25(18)16-5-3-2-4-6-16/h2-6,9,13,15H,7-8,10-12H2,1H3,(H,22,26)
InChIKeyFBBVCCHFLZXNAK-UHFFFAOYSA-N
XLogP1.50
TPSA89.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of N-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide (CID 166310782) is N-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for N-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for N-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide is Cc1ncc(CN2CC(NC(=O)CCc3nncn3-c3ccccc3)C2)o1.
What is the InChIKey of N-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is FBBVCCHFLZXNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-14-20-9-17(27-14)12-24-10-15(11-24)22-19(26)8-7-18-23-21-13-25(18)16-5-3-2-4-6-16/h2-6,9,13,15H,7-8,10-12H2,1H3,(H,22,26).
What are the key properties of N-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide?
N-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 366.43 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methyl-1,3-oxazol-5-yl)methyl]azetidin-3-yl]-3-(4-phenyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 166310782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).