N-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide

C15H18N4O3 — CID 13011271

IUPACN-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide
SMILESCNC(=O)N1CCN(C2=NC(=O)C(c3ccccc3)O2)CC1
InChIInChI=1S/C15H18N4O3/c1-16-14(21)18-7-9-19(10-8-18)15-17-13(20)12(22-15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,21)
InChIKeyWVRMFHAJXIGAOC-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.60
Rot. Bonds1

About N-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide

N-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide (PubChem CID 13011271) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide
PubChem CID13011271
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide
SMILESCNC(=O)N1CCN(C2=NC(=O)C(c3ccccc3)O2)CC1
InChIInChI=1S/C15H18N4O3/c1-16-14(21)18-7-9-19(10-8-18)15-17-13(20)12(22-15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,21)
InChIKeyWVRMFHAJXIGAOC-UHFFFAOYSA-N
XLogP0.60
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide (CID 13011271) is N-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide is CNC(=O)N1CCN(C2=NC(=O)C(c3ccccc3)O2)CC1.
What is the InChIKey of N-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide?
The InChIKey is WVRMFHAJXIGAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-16-14(21)18-7-9-19(10-8-18)15-17-13(20)12(22-15)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,16,21).
What are the key properties of N-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide?
N-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide has a molecular weight of 302.33 g/mol, XLogP of 0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-oxo-5-phenyl-1,3-oxazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 13011271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).