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

C16H20N4O3 — CID 75382216

IUPAC4-(2-hydroxyethyl)-N-(5-phenyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)on1)N1CCN(CCO)CC1
InChIInChI=1S/C16H20N4O3/c21-11-10-19-6-8-20(9-7-19)16(22)17-15-12-14(23-18-15)13-4-2-1-3-5-13/h1-5,12,21H,6-11H2,(H,17,18,22)
InChIKeyBSEWDCZMHXDQMV-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.48
Rot. Bonds4

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

4-(2-hydroxyethyl)-N-(5-phenyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (PubChem CID 75382216) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 4-(2-hydroxyethyl)-N-(5-phenyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2-hydroxyethyl)-N-(5-phenyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
PubChem CID75382216
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name4-(2-hydroxyethyl)-N-(5-phenyl-1,2-oxazol-3-yl)piperazine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)on1)N1CCN(CCO)CC1
InChIInChI=1S/C16H20N4O3/c21-11-10-19-6-8-20(9-7-19)16(22)17-15-12-14(23-18-15)13-4-2-1-3-5-13/h1-5,12,21H,6-11H2,(H,17,18,22)
InChIKeyBSEWDCZMHXDQMV-UHFFFAOYSA-N
XLogP1.48
TPSA81.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethyl)-N-(5-phenyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(2-hydroxyethyl)-N-(5-phenyl-1,2-oxazol-3-yl)piperazine-1-carboxamide (CID 75382216) is 4-(2-hydroxyethyl)-N-(5-phenyl-1,2-oxazol-3-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(2-hydroxyethyl)-N-(5-phenyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(2-hydroxyethyl)-N-(5-phenyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is O=C(Nc1cc(-c2ccccc2)on1)N1CCN(CCO)CC1.
What is the InChIKey of 4-(2-hydroxyethyl)-N-(5-phenyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
The InChIKey is BSEWDCZMHXDQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c21-11-10-19-6-8-20(9-7-19)16(22)17-15-12-14(23-18-15)13-4-2-1-3-5-13/h1-5,12,21H,6-11H2,(H,17,18,22).
What are the key properties of 4-(2-hydroxyethyl)-N-(5-phenyl-1,2-oxazol-3-yl)piperazine-1-carboxamide?
4-(2-hydroxyethyl)-N-(5-phenyl-1,2-oxazol-3-yl)piperazine-1-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethyl)-N-(5-phenyl-1,2-oxazol-3-yl)piperazine-1-carboxamide is sourced from PubChem (CID 75382216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).