(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone

C18H21N3O3 — CID 120733613

IUPAC(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H21N3O3/c1-23-16-5-3-2-4-13(16)15-11-19-8-9-21(15)18(22)14-10-17(24-20-14)12-6-7-12/h2-5,10,12,15,19H,6-9,11H2,1H3
InChIKeyOUSZJTHSLRSJFK-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.35
Rot. Bonds4

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

(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 120733613) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID120733613
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1C1CNCCN1C(=O)c1cc(C2CC2)on1
InChIInChI=1S/C18H21N3O3/c1-23-16-5-3-2-4-13(16)15-11-19-8-9-21(15)18(22)14-10-17(24-20-14)12-6-7-12/h2-5,10,12,15,19H,6-9,11H2,1H3
InChIKeyOUSZJTHSLRSJFK-UHFFFAOYSA-N
XLogP2.35
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 110109299
[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]-quinolin-2-ylmethanone
CID 129349791
[2-(2-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1,2-oxazol-5-yl]methanone;hydrochloride
CID 120732866
(1-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 124958818
[2-(2-methoxyphenyl)piperazin-1-yl]-[2-(2-methylphenyl)-1,3-thiazol-4-yl]methanone;hydrochloride
CID 120733828
[2-(2-methoxyphenyl)piperazin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 120733240
[2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride
CID 120733590
[2-(2-methoxyphenyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone;hydrochloride
CID 120734744
(5-bromothiophen-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone;hydrochloride
CID 120734960
3-(3-methoxy-1,2-oxazol-5-yl)-1-[(2R)-2-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 125008891
[2-(4-fluorophenyl)triazol-4-yl]-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120734530
(2-benzyl-1,3-thiazol-4-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 120732761

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 120733613) is (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1C1CNCCN1C(=O)c1cc(C2CC2)on1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is OUSZJTHSLRSJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-16-5-3-2-4-13(16)15-11-19-8-9-21(15)18(22)14-10-17(24-20-14)12-6-7-12/h2-5,10,12,15,19H,6-9,11H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone?
(5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 327.38 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-3-yl)-[2-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 120733613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).