1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea

C19H24N4O2 — CID 168955797

IUPAC1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea
SMILESO=C(NCc1ccnc(-c2cnco2)c1)NC1CC1C1CCCCC1
InChIInChI=1S/C19H24N4O2/c24-19(23-16-9-15(16)14-4-2-1-3-5-14)22-10-13-6-7-21-17(8-13)18-11-20-12-25-18/h6-8,11-12,14-16H,1-5,9-10H2,(H2,22,23,24)
InChIKeyMZTSNLAXQKWKTA-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.50
Rot. Bonds5

About 1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea

1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea (PubChem CID 168955797) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea
PubChem CID168955797
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea
SMILESO=C(NCc1ccnc(-c2cnco2)c1)NC1CC1C1CCCCC1
InChIInChI=1S/C19H24N4O2/c24-19(23-16-9-15(16)14-4-2-1-3-5-14)22-10-13-6-7-21-17(8-13)18-11-20-12-25-18/h6-8,11-12,14-16H,1-5,9-10H2,(H2,22,23,24)
InChIKeyMZTSNLAXQKWKTA-UHFFFAOYSA-N
XLogP3.50
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea?
The IUPAC name of 1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea (CID 168955797) is 1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea?
The canonical SMILES for 1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea is O=C(NCc1ccnc(-c2cnco2)c1)NC1CC1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea?
The InChIKey is MZTSNLAXQKWKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-19(23-16-9-15(16)14-4-2-1-3-5-14)22-10-13-6-7-21-17(8-13)18-11-20-12-25-18/h6-8,11-12,14-16H,1-5,9-10H2,(H2,22,23,24).
What are the key properties of 1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea?
1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea has a molecular weight of 340.43 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylcyclopropyl)-3-[[2-(1,3-oxazol-5-yl)-4-pyridinyl]methyl]urea is sourced from PubChem (CID 168955797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).