(3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone

C8H12N4O2 — CID 117218069

IUPAC(3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCNCC2)on1
InChIInChI=1S/C8H12N4O2/c9-7-5-6(14-11-7)8(13)12-3-1-10-2-4-12/h5,10H,1-4H2,(H2,9,11)
InChIKeyWQFSGIMDGZRFKA-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.70
Rot. Bonds1

About (3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone

(3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone (PubChem CID 117218069) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is (3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone.

Molecular Properties

Compound Name(3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone
PubChem CID117218069
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name(3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone
SMILESNc1cc(C(=O)N2CCNCC2)on1
InChIInChI=1S/C8H12N4O2/c9-7-5-6(14-11-7)8(13)12-3-1-10-2-4-12/h5,10H,1-4H2,(H2,9,11)
InChIKeyWQFSGIMDGZRFKA-UHFFFAOYSA-N
XLogP-0.70
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1,4-diazepan-1-yl(1,2-oxazol-5-yl)methanone
CID 28776622
piperazin-1-yl-(5-thiophen-2-yl-1,2-oxazol-3-yl)methanone
CID 24858712
(5-amino-1,3-thiazol-4-yl)-piperazin-1-ylmethanone
CID 117214816
(6-amino-2-pyridinyl)-piperazin-1-ylmethanone
CID 82507133
(5-amino-1,1-dioxo-1,2-thiazol-4-yl)-piperazin-1-ylmethanone
CID 117213403
5-(morpholine-4-carbonyl)-1,2-oxazole-3-carboxylic acid
CID 117218072
(6-amino-2,3-dihydro-1,4-benzodioxin-7-yl)-piperazin-1-ylmethanone
CID 82550269
1,4-diazepan-1-yl(1,3-oxazol-5-yl)methanone
CID 83617619
piperazin-1-yl-[4-(trifluoromethyl)furan-2-yl]methanone
CID 110834030
3,5-bis(piperazine-1-carbonyl)benzoic acid
CID 90342459
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
[4-(aminomethyl)piperidin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone;hydrochloride
CID 119423963

Frequently Asked Questions

What is the IUPAC name of (3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone?
The IUPAC name of (3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone (CID 117218069) is (3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone.
What is the SMILES notation for (3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone?
The canonical SMILES for (3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone is Nc1cc(C(=O)N2CCNCC2)on1.
What is the InChIKey of (3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone?
The InChIKey is WQFSGIMDGZRFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-7-5-6(14-11-7)8(13)12-3-1-10-2-4-12/h5,10H,1-4H2,(H2,9,11).
What are the key properties of (3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone?
(3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone has a molecular weight of 196.21 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-1,2-oxazol-5-yl)-piperazin-1-ylmethanone is sourced from PubChem (CID 117218069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).