(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

C18H25N5O2 — CID 90561700

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCCc1nccn1CCN1CCN(C(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C18H25N5O2/c1-2-17-19-5-6-22(17)10-7-21-8-11-23(12-9-21)18(24)15-13-16(25-20-15)14-3-4-14/h5-6,13-14H,2-4,7-12H2,1H3
InChIKeyKOWKDGAWWRDBCM-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.77
Rot. Bonds6

About (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone

(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (PubChem CID 90561700) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
PubChem CID90561700
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
SMILESCCc1nccn1CCN1CCN(C(=O)c2cc(C3CC3)on2)CC1
InChIInChI=1S/C18H25N5O2/c1-2-17-19-5-6-22(17)10-7-21-8-11-23(12-9-21)18(24)15-13-16(25-20-15)14-3-4-14/h5-6,13-14H,2-4,7-12H2,1H3
InChIKeyKOWKDGAWWRDBCM-UHFFFAOYSA-N
XLogP1.77
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3,4-difluorophenyl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90561564
[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 90561551
cyclohex-3-en-1-yl-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone
CID 90561708
3-cyclopentyl-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561520
3-chloro-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]propan-1-one
CID 90561527
2-[4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 33217745
N-[1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)piperidin-4-yl]butanamide
CID 145039927
5-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 90561459
2-[4-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119041061
3-chloro-1-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 90561530
(5-cyclopropyl-1,2-oxazol-3-yl)-(4-methylsulfonylpiperidin-1-yl)methanone
CID 71805699
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122342906

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone (CID 90561700) is (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is CCc1nccn1CCN1CCN(C(=O)c2cc(C3CC3)on2)CC1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
The InChIKey is KOWKDGAWWRDBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-2-17-19-5-6-22(17)10-7-21-8-11-23(12-9-21)18(24)15-13-16(25-20-15)14-3-4-14/h5-6,13-14H,2-4,7-12H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[4-[2-(2-ethylimidazol-1-yl)ethyl]piperazin-1-yl]methanone is sourced from PubChem (CID 90561700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).