1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea

C14H23N7O2 — CID 126439974

IUPAC1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESCC(C)c1nc(CCN(C)C(=O)N[C@H](C)Cn2cncn2)no1
InChIInChI=1S/C14H23N7O2/c1-10(2)13-18-12(19-23-13)5-6-20(4)14(22)17-11(3)7-21-9-15-8-16-21/h8-11H,5-7H2,1-4H3,(H,17,22)/t11-/m1/s1
InChIKeyZCNFRRSNYRMXOW-LLVKDONJSA-N
MW321.39 g/mol
LogP1.06
Rot. Bonds7

About 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea

1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea (PubChem CID 126439974) has the molecular formula C14H23N7O2 and a molecular weight of 321.39 g/mol. Its IUPAC name is 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
PubChem CID126439974
Molecular FormulaC14H23N7O2
Molecular Weight321.39 g/mol
Exact Mass321.19
IUPAC Name1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
SMILESCC(C)c1nc(CCN(C)C(=O)N[C@H](C)Cn2cncn2)no1
InChIInChI=1S/C14H23N7O2/c1-10(2)13-18-12(19-23-13)5-6-20(4)14(22)17-11(3)7-21-9-15-8-16-21/h8-11H,5-7H2,1-4H3,(H,17,22)/t11-/m1/s1
InChIKeyZCNFRRSNYRMXOW-LLVKDONJSA-N
XLogP1.06
TPSA101.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The IUPAC name of 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea (CID 126439974) is 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea is CC(C)c1nc(CCN(C)C(=O)N[C@H](C)Cn2cncn2)no1.
What is the InChIKey of 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
The InChIKey is ZCNFRRSNYRMXOW-LLVKDONJSA-N. The full InChI is InChI=1S/C14H23N7O2/c1-10(2)13-18-12(19-23-13)5-6-20(4)14(22)17-11(3)7-21-9-15-8-16-21/h8-11H,5-7H2,1-4H3,(H,17,22)/t11-/m1/s1.
What are the key properties of 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea?
1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea has a molecular weight of 321.39 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea is sourced from PubChem (CID 126439974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).