1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea

C12H18N6O2 — CID 29092847

IUPAC1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea
SMILESCCCn1cnc(NC(=O)NCc2cc(CC)no2)n1
InChIInChI=1S/C12H18N6O2/c1-3-5-18-8-14-11(16-18)15-12(19)13-7-10-6-9(4-2)17-20-10/h6,8H,3-5,7H2,1-2H3,(H2,13,15,16,19)
InChIKeyLDDXMBMKYPPJLI-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.56
Rot. Bonds6

About 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea

1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea (PubChem CID 29092847) has the molecular formula C12H18N6O2 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea.

Molecular Properties

Compound Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea
PubChem CID29092847
Molecular FormulaC12H18N6O2
Molecular Weight278.32 g/mol
Exact Mass278.15
IUPAC Name1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea
SMILESCCCn1cnc(NC(=O)NCc2cc(CC)no2)n1
InChIInChI=1S/C12H18N6O2/c1-3-5-18-8-14-11(16-18)15-12(19)13-7-10-6-9(4-2)17-20-10/h6,8H,3-5,7H2,1-2H3,(H2,13,15,16,19)
InChIKeyLDDXMBMKYPPJLI-UHFFFAOYSA-N
XLogP1.56
TPSA97.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea?
The IUPAC name of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea (CID 29092847) is 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea.
What is the SMILES notation for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea?
The canonical SMILES for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea is CCCn1cnc(NC(=O)NCc2cc(CC)no2)n1.
What is the InChIKey of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea?
The InChIKey is LDDXMBMKYPPJLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2/c1-3-5-18-8-14-11(16-18)15-12(19)13-7-10-6-9(4-2)17-20-10/h6,8H,3-5,7H2,1-2H3,(H2,13,15,16,19).
What are the key properties of 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea?
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea has a molecular weight of 278.32 g/mol, XLogP of 1.56, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-3-(1-propyl-1,2,4-triazol-3-yl)urea is sourced from PubChem (CID 29092847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).