1-(3-methyl-1,2-oxazol-5-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea

C18H25N5O2 — CID 71989245

IUPAC1-(3-methyl-1,2-oxazol-5-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
SMILESCc1cc(NC(=O)NC(C)CN2CCN(c3ccccc3)CC2)on1
InChIInChI=1S/C18H25N5O2/c1-14-12-17(25-21-14)20-18(24)19-15(2)13-22-8-10-23(11-9-22)16-6-4-3-5-7-16/h3-7,12,15H,8-11,13H2,1-2H3,(H2,19,20,24)
InChIKeyGVPDOKQMHZQAMV-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.32
Rot. Bonds5

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

1-(3-methyl-1,2-oxazol-5-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea (PubChem CID 71989245) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
PubChem CID71989245
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea
SMILESCc1cc(NC(=O)NC(C)CN2CCN(c3ccccc3)CC2)on1
InChIInChI=1S/C18H25N5O2/c1-14-12-17(25-21-14)20-18(24)19-15(2)13-22-8-10-23(11-9-22)16-6-4-3-5-7-16/h3-7,12,15H,8-11,13H2,1-2H3,(H2,19,20,24)
InChIKeyGVPDOKQMHZQAMV-UHFFFAOYSA-N
XLogP2.32
TPSA73.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea (CID 71989245) is 1-(3-methyl-1,2-oxazol-5-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea is Cc1cc(NC(=O)NC(C)CN2CCN(c3ccccc3)CC2)on1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea?
The InChIKey is GVPDOKQMHZQAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-14-12-17(25-21-14)20-18(24)19-15(2)13-22-8-10-23(11-9-22)16-6-4-3-5-7-16/h3-7,12,15H,8-11,13H2,1-2H3,(H2,19,20,24).
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea?
1-(3-methyl-1,2-oxazol-5-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea has a molecular weight of 343.43 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)-3-[1-(4-phenylpiperazin-1-yl)propan-2-yl]urea is sourced from PubChem (CID 71989245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).