5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one

C16H15N5O3 — CID 110662219

IUPAC5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C(c1cnccn1)N1CCN(c2ccc3oc(=O)[nH]c3c2)CC1
InChIInChI=1S/C16H15N5O3/c22-15(13-10-17-3-4-18-13)21-7-5-20(6-8-21)11-1-2-14-12(9-11)19-16(23)24-14/h1-4,9-10H,5-8H2,(H,19,23)
InChIKeyYXKWNYDMPRXCFH-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.87
Rot. Bonds2

About 5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one

5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one (PubChem CID 110662219) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is 5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
PubChem CID110662219
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC Name5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
SMILESO=C(c1cnccn1)N1CCN(c2ccc3oc(=O)[nH]c3c2)CC1
InChIInChI=1S/C16H15N5O3/c22-15(13-10-17-3-4-18-13)21-7-5-20(6-8-21)11-1-2-14-12(9-11)19-16(23)24-14/h1-4,9-10H,5-8H2,(H,19,23)
InChIKeyYXKWNYDMPRXCFH-UHFFFAOYSA-N
XLogP0.87
TPSA95.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-piperidin-1-yl-3H-1,3-benzoxazol-2-one
CID 23074043
5-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662250
[4-(4-methoxyquinazolin-6-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 126894591
5-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110361243
5-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662247
5-[4-[2-(2-methylphenoxy)acetyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662246
5-[4-[3-(2-fluorophenyl)propanoyl]piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110662236
6-[4-(pyridine-3-carbonyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110400153
1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one
CID 62046605
5-[4-(4-fluorobenzoyl)piperazine-1-carbonyl]-3H-1,3-benzoxazol-2-one
CID 110802394
5-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-3H-1,3-benzoxazol-2-one
CID 110390420
N-[[(5S)-3-[3-fluoro-4-[4-(pyrazine-2-carbonyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58862063

Frequently Asked Questions

What is the IUPAC name of 5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one (CID 110662219) is 5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one is O=C(c1cnccn1)N1CCN(c2ccc3oc(=O)[nH]c3c2)CC1.
What is the InChIKey of 5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
The InChIKey is YXKWNYDMPRXCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c22-15(13-10-17-3-4-18-13)21-7-5-20(6-8-21)11-1-2-14-12(9-11)19-16(23)24-14/h1-4,9-10H,5-8H2,(H,19,23).
What are the key properties of 5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one?
5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one has a molecular weight of 325.33 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(pyrazine-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 110662219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).