[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

C16H19N3O3 — CID 842091

IUPAC[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc(C)on3)CC2)cc1
InChIInChI=1S/C16H19N3O3/c1-12-11-15(17-22-12)16(20)19-9-7-18(8-10-19)13-3-5-14(21-2)6-4-13/h3-6,11H,7-10H2,1-2H3
InChIKeyKAXNXZQKVKXPMY-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.95
Rot. Bonds3

About [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone

[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 842091) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID842091
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCOc1ccc(N2CCN(C(=O)c3cc(C)on3)CC2)cc1
InChIInChI=1S/C16H19N3O3/c1-12-11-15(17-22-12)16(20)19-9-7-18(8-10-19)13-3-5-14(21-2)6-4-13/h3-6,11H,7-10H2,1-2H3
InChIKeyKAXNXZQKVKXPMY-UHFFFAOYSA-N
XLogP1.95
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

CID 72376212
CID 72376212
N-(4-methoxyphenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093730
5-methyl-N-(4-piperidin-1-ylphenyl)-1,2-oxazole-3-carboxamide
CID 2814205
N-(4-methoxyphenyl)-3-methylisoxazole-5-carboxamide
CID 7726776
1-{5-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-3-ylmethyl}-pyrrolidin-2-one
CID 10318686
1-{3-[4-(2-Isopropoxy-phenyl)-piperazin-1-ylmethyl]-isoxazol-5-ylmethyl}-piperidin-2-one
CID 12134986
9-(5-methyl-1,2-oxazole-3-carbonyl)-N-[4-(trifluoromethoxy)phenyl]-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 71679344
3-Isoxazolecarboxamide, N-(2-methoxyphenyl)-5-methyl-
CID 3021345
[4-(2-Methoxy-phenyl)-piperazin-1-yl]-(5-phenyl-isoxazol-3-yl)-methanone
CID 1093741
5-Methylisoxazol-3-yl 4-phenylpiperazinyl ketone
CID 3245439
1-{[5-(3-Methoxyphenyl)isoxazol-3-yl]carbonyl}-2,6-dimethylpiperidine
CID 3245596
1-(4-Fluorophenyl)-4-{[5-(2-methoxyphenyl)isoxazol-3-yl]carbonyl}piperazine
CID 3245614

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone (CID 842091) is [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is COc1ccc(N2CCN(C(=O)c3cc(C)on3)CC2)cc1.
What is the InChIKey of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is KAXNXZQKVKXPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-12-11-15(17-22-12)16(20)19-9-7-18(8-10-19)13-3-5-14(21-2)6-4-13/h3-6,11H,7-10H2,1-2H3.
What are the key properties of [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone?
[4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 301.35 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxyphenyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 842091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).