3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole

C11H17N3O — CID 81173891

IUPAC3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESc1cc(CN2CCNC(C3CC3)C2)no1
InChIInChI=1S/C11H17N3O/c1-2-9(1)11-8-14(5-4-12-11)7-10-3-6-15-13-10/h3,6,9,11-12H,1-2,4-5,7-8H2
InChIKeySFYDNSYMECEAIJ-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.86
Rot. Bonds3

About 3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole

3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole (PubChem CID 81173891) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole
PubChem CID81173891
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole
SMILESc1cc(CN2CCNC(C3CC3)C2)no1
InChIInChI=1S/C11H17N3O/c1-2-9(1)11-8-14(5-4-12-11)7-10-3-6-15-13-10/h3,6,9,11-12H,1-2,4-5,7-8H2
InChIKeySFYDNSYMECEAIJ-UHFFFAOYSA-N
XLogP0.86
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(Isoxazol-3-ylmethyl)-1-(3-methylbutyl)piperazin-2-yl]ethanol
CID 16191041
2-[1-(cyclohexylmethyl)-3-oxo-2-piperazinyl]-N-(3-isoxazolylmethyl)-N-methylacetamide
CID 16192260
2-[1-(2,2-dimethylpropyl)-3-oxopiperazin-2-yl]-N-(isoxazol-3-ylmethyl)-N-methylacetamide
CID 16187563
Methyl(1,2-oxazol-3-ylmethyl)amine
CID 23006272
1-(1,2-Oxazol-3-ylmethyl)piperazine
CID 4914503
1-(1-ethyl-2-pyrrolidinyl)-N-(3-isoxazolylmethyl)-N-{[1-(2-methoxyethyl)-4-piperidinyl]methyl}methanamine
CID 45207670
N-[2-[cyclopropyl(methyl)amino]propyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868342
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71868350
N-(1,2-oxazol-3-ylmethyl)-N-(3,3,3-trifluoropropyl)cyclopentanamine
CID 71973879
N-[(1-methylpiperidin-3-yl)methyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71985669
N-[2-[methyl(propan-2-yl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 71990256
N-[2-[cyclopentyl(methyl)amino]ethyl]-4-(1,2-oxazol-3-ylmethyl)piperazine-1-carboxamide
CID 72116467

Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole (CID 81173891) is 3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole is c1cc(CN2CCNC(C3CC3)C2)no1.
What is the InChIKey of 3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole?
The InChIKey is SFYDNSYMECEAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-2-9(1)11-8-14(5-4-12-11)7-10-3-6-15-13-10/h3,6,9,11-12H,1-2,4-5,7-8H2.
What are the key properties of 3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole?
3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole has a molecular weight of 207.28 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropylpiperazin-1-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 81173891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).