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

C20H34N4O2 — CID 47070684

IUPAC1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-cyclohexylurea
SMILESCC(C)(C)c1cnc(CN2CCC(NC(=O)NC3CCCCC3)CC2)o1
InChIInChI=1S/C20H34N4O2/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/h13,15-16H,4-12,14H2,1-3H3,(H2,22,23,25)
InChIKeyLKSXVWBGHQBGRQ-UHFFFAOYSA-N
MW362.52 g/mol
LogP3.57
Rot. Bonds4

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

1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-cyclohexylurea (PubChem CID 47070684) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-cyclohexylurea.

Molecular Properties

Compound Name1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-cyclohexylurea
PubChem CID47070684
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-cyclohexylurea
SMILESCC(C)(C)c1cnc(CN2CCC(NC(=O)NC3CCCCC3)CC2)o1
InChIInChI=1S/C20H34N4O2/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/h13,15-16H,4-12,14H2,1-3H3,(H2,22,23,25)
InChIKeyLKSXVWBGHQBGRQ-UHFFFAOYSA-N
XLogP3.57
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 53.57
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-cyclohexylurea?
The IUPAC name of 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-cyclohexylurea (CID 47070684) is 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-cyclohexylurea.
What is the SMILES notation for 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-cyclohexylurea?
The canonical SMILES for 1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-cyclohexylurea 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-cyclohexylurea?
The InChIKey is LKSXVWBGHQBGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/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/h13,15-16H,4-12,14H2,1-3H3,(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-cyclohexylurea?
1-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-3-cyclohexylurea has a molecular weight of 362.52 g/mol, XLogP of 3.57, 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-cyclohexylurea is sourced from PubChem (CID 47070684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).