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

C16H20N4O2 — CID 126815459

IUPAC1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)Nc1nc(C2CC2)c(C)o1
InChIInChI=1S/C16H20N4O2/c1-10-9-17-7-5-12(10)6-8-18-15(21)20-16-19-14(11(2)22-16)13-3-4-13/h5,7,9,13H,3-4,6,8H2,1-2H3,(H2,18,19,20,21)
InChIKeyAUVIXGWKDMHHRK-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.93
Rot. Bonds5

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

1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (PubChem CID 126815459) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
PubChem CID126815459
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea
SMILESCc1cnccc1CCNC(=O)Nc1nc(C2CC2)c(C)o1
InChIInChI=1S/C16H20N4O2/c1-10-9-17-7-5-12(10)6-8-18-15(21)20-16-19-14(11(2)22-16)13-3-4-13/h5,7,9,13H,3-4,6,8H2,1-2H3,(H2,18,19,20,21)
InChIKeyAUVIXGWKDMHHRK-UHFFFAOYSA-N
XLogP2.93
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The IUPAC name of 1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea (CID 126815459) is 1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea.
What is the SMILES notation for 1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The canonical SMILES for 1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is Cc1cnccc1CCNC(=O)Nc1nc(C2CC2)c(C)o1.
What is the InChIKey of 1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
The InChIKey is AUVIXGWKDMHHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-10-9-17-7-5-12(10)6-8-18-15(21)20-16-19-14(11(2)22-16)13-3-4-13/h5,7,9,13H,3-4,6,8H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea?
1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea has a molecular weight of 300.36 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-5-methyl-1,3-oxazol-2-yl)-3-[2-(3-methyl-4-pyridinyl)ethyl]urea is sourced from PubChem (CID 126815459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).