1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea

C14H21N3O2 — CID 154802422

IUPAC1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea
SMILESCC1(C)CC1(C)NC(=O)Nc1noc2c1CCCC2
InChIInChI=1S/C14H21N3O2/c1-13(2)8-14(13,3)16-12(18)15-11-9-6-4-5-7-10(9)19-17-11/h4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyLTEDFBCWGVANLM-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.86
Rot. Bonds2

About 1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea

1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea (PubChem CID 154802422) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea.

Molecular Properties

Compound Name1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea
PubChem CID154802422
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea
SMILESCC1(C)CC1(C)NC(=O)Nc1noc2c1CCCC2
InChIInChI=1S/C14H21N3O2/c1-13(2)8-14(13,3)16-12(18)15-11-9-6-4-5-7-10(9)19-17-11/h4-8H2,1-3H3,(H2,15,16,17,18)
InChIKeyLTEDFBCWGVANLM-UHFFFAOYSA-N
XLogP2.86
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea?
The IUPAC name of 1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea (CID 154802422) is 1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea.
What is the SMILES notation for 1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea?
The canonical SMILES for 1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea is CC1(C)CC1(C)NC(=O)Nc1noc2c1CCCC2.
What is the InChIKey of 1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea?
The InChIKey is LTEDFBCWGVANLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-13(2)8-14(13,3)16-12(18)15-11-9-6-4-5-7-10(9)19-17-11/h4-8H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea?
1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea has a molecular weight of 263.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)-3-(1,2,2-trimethylcyclopropyl)urea is sourced from PubChem (CID 154802422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).