1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea

C20H28N4O2 — CID 47070693

IUPAC1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea
SMILESCC(C)(C)c1cnc(CN2CCC(NC(=O)Nc3ccccc3)CC2)o1
InChIInChI=1S/C20H28N4O2/c1-20(2,3)17-13-21-18(26-17)14-24-11-9-16(10-12-24)23-19(25)22-15-7-5-4-6-8-15/h4-8,13,16H,9-12,14H2,1-3H3,(H2,22,23,25)
InChIKeyQYFGGLDRLJZWLE-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.76
Rot. Bonds4

About 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea

1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea (PubChem CID 47070693) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea
PubChem CID47070693
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea
SMILESCC(C)(C)c1cnc(CN2CCC(NC(=O)Nc3ccccc3)CC2)o1
InChIInChI=1S/C20H28N4O2/c1-20(2,3)17-13-21-18(26-17)14-24-11-9-16(10-12-24)23-19(25)22-15-7-5-4-6-8-15/h4-8,13,16H,9-12,14H2,1-3H3,(H2,22,23,25)
InChIKeyQYFGGLDRLJZWLE-UHFFFAOYSA-N
XLogP3.76
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea?
The IUPAC name of 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea (CID 47070693) is 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea is CC(C)(C)c1cnc(CN2CCC(NC(=O)Nc3ccccc3)CC2)o1.
What is the InChIKey of 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea?
The InChIKey is QYFGGLDRLJZWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-20(2,3)17-13-21-18(26-17)14-24-11-9-16(10-12-24)23-19(25)22-15-7-5-4-6-8-15/h4-8,13,16H,9-12,14H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea?
1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea has a molecular weight of 356.47 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-phenylurea is sourced from PubChem (CID 47070693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).