1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea

C26H30N4O2 — CID 46023784

IUPAC1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea
SMILESCc1ccc(NC(=O)N(Cc2c(-c3ccccc3)noc2N2CCCCC2)C2CC2)cc1
InChIInChI=1S/C26H30N4O2/c1-19-10-12-21(13-11-19)27-26(31)30(22-14-15-22)18-23-24(20-8-4-2-5-9-20)28-32-25(23)29-16-6-3-7-17-29/h2,4-5,8-13,22H,3,6-7,14-18H2,1H3,(H,27,31)
InChIKeyVIACIEHITCHUJA-UHFFFAOYSA-N
MW430.55 g/mol
LogP5.84
Rot. Bonds6

About 1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea

1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea (PubChem CID 46023784) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea
PubChem CID46023784
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC Name1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea
SMILESCc1ccc(NC(=O)N(Cc2c(-c3ccccc3)noc2N2CCCCC2)C2CC2)cc1
InChIInChI=1S/C26H30N4O2/c1-19-10-12-21(13-11-19)27-26(31)30(22-14-15-22)18-23-24(20-8-4-2-5-9-20)28-32-25(23)29-16-6-3-7-17-29/h2,4-5,8-13,22H,3,6-7,14-18H2,1H3,(H,27,31)
InChIKeyVIACIEHITCHUJA-UHFFFAOYSA-N
XLogP5.84
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.55
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea with MolForge

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Related Compounds

1-(3-methoxypropyl)-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea
CID 46027947
N-cyclopropyl-2-fluoro-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 24719772
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 24719374
N-[2-(dimethylamino)ethyl]-4-methyl-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]benzamide
CID 46027790
1-benzyl-1-[[3-(4-fluorophenyl)-5-(4-methylpiperazin-1-yl)-1,2-oxazol-4-yl]methyl]-3-(4-methylphenyl)urea
CID 46027937
N-(3-methoxypropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 46027779
N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]-N-propan-2-ylacetamide
CID 24719752
3-(3-chlorophenyl)-1-(2-methylpropyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea
CID 46015039
3-(3-chlorophenyl)-1-(2-methoxyethyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea
CID 42843747
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]benzenesulfonamide
CID 93207909
N-(2-methylpropyl)-N-[(3-phenyl-5-pyrrolidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 24718080
N-[[(2S)-oxolan-2-yl]methyl]-N-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]cyclopropanecarboxamide
CID 93207861

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea (CID 46023784) is 1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea is Cc1ccc(NC(=O)N(Cc2c(-c3ccccc3)noc2N2CCCCC2)C2CC2)cc1.
What is the InChIKey of 1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea?
The InChIKey is VIACIEHITCHUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-19-10-12-21(13-11-19)27-26(31)30(22-14-15-22)18-23-24(20-8-4-2-5-9-20)28-32-25(23)29-16-6-3-7-17-29/h2,4-5,8-13,22H,3,6-7,14-18H2,1H3,(H,27,31).
What are the key properties of 1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea?
1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea has a molecular weight of 430.55 g/mol, XLogP of 5.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4-methylphenyl)-1-[(3-phenyl-5-piperidin-1-yl-1,2-oxazol-4-yl)methyl]urea is sourced from PubChem (CID 46023784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).