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

C17H21ClN4O3 — CID 119835219

IUPAC(4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCN(Cc2cc(C)on2)CC1
InChIInChI=1S/C17H21ClN4O3/c1-11-7-12(20-25-11)10-21-3-5-22(6-4-21)17(23)13-8-14(18)15(19)9-16(13)24-2/h7-9H,3-6,10,19H2,1-2H3
InChIKeyOSYSIMLJYZRILD-UHFFFAOYSA-N
MW364.83 g/mol
LogP2.19
Rot. Bonds4

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

(4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone (PubChem CID 119835219) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is (4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
PubChem CID119835219
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name(4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
SMILESCOc1cc(N)c(Cl)cc1C(=O)N1CCN(Cc2cc(C)on2)CC1
InChIInChI=1S/C17H21ClN4O3/c1-11-7-12(20-25-11)10-21-3-5-22(6-4-21)17(23)13-8-14(18)15(19)9-16(13)24-2/h7-9H,3-6,10,19H2,1-2H3
InChIKeyOSYSIMLJYZRILD-UHFFFAOYSA-N
XLogP2.19
TPSA84.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(4-amino-5-chloro-2-methoxyphenyl)-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]methanone
CID 119857217
(4-amino-5-chloro-2-methoxyphenyl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 119864369
(4-amino-5-chloro-2-methoxyphenyl)-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]methanone;dihydrochloride
CID 119891715
(4-amino-5-chloro-2-methoxyphenyl)-piperidin-1-ylmethanone
CID 110465007
(4-amino-5-chloro-2-methoxyphenyl)-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 119838920
4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride
CID 119729329
(3-ethoxy-4-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 86908243
(4-amino-5-chloro-2-methoxyphenyl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 90104894
[4-(4-amino-5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(furan-2-yl)methanone;hydrochloride
CID 119673070
(3,4-dichlorophenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 110423059
(4-amino-5-chloro-2-methoxyphenyl)-[4-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
CID 119851808
2-(3,4-dimethoxyphenyl)-1-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]ethanone
CID 110646397

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone (CID 119835219) is (4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone is COc1cc(N)c(Cl)cc1C(=O)N1CCN(Cc2cc(C)on2)CC1.
What is the InChIKey of (4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?
The InChIKey is OSYSIMLJYZRILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c1-11-7-12(20-25-11)10-21-3-5-22(6-4-21)17(23)13-8-14(18)15(19)9-16(13)24-2/h7-9H,3-6,10,19H2,1-2H3.
What are the key properties of (4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone?
(4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 364.83 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 119835219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).