4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride

C14H17Cl2N3O3 — CID 119729329

IUPAC4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(C)Cc1cc(C)on1.Cl
InChIInChI=1S/C14H16ClN3O3.ClH/c1-8-4-9(17-21-8)7-18(2)14(19)10-5-11(15)12(16)6-13(10)20-3;/h4-6H,7,16H2,1-3H3;1H
InChIKeyCXWBAGGOFLLVFU-UHFFFAOYSA-N
MW346.21 g/mol
LogP2.92
Rot. Bonds4

About 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride

4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride (PubChem CID 119729329) has the molecular formula C14H17Cl2N3O3 and a molecular weight of 346.21 g/mol. Its IUPAC name is 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride
PubChem CID119729329
Molecular FormulaC14H17Cl2N3O3
Molecular Weight346.21 g/mol
Exact Mass345.06
IUPAC Name4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride
SMILESCOc1cc(N)c(Cl)cc1C(=O)N(C)Cc1cc(C)on1.Cl
InChIInChI=1S/C14H16ClN3O3.ClH/c1-8-4-9(17-21-8)7-18(2)14(19)10-5-11(15)12(16)6-13(10)20-3;/h4-6H,7,16H2,1-3H3;1H
InChIKeyCXWBAGGOFLLVFU-UHFFFAOYSA-N
XLogP2.92
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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CID 119958197
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CID 38872569
(4-amino-5-chloro-2-methoxyphenyl)-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]methanone
CID 119835219
3-amino-N,2-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 43587238
4-amino-5-chloro-N-(2-hydroxy-2-methylpropyl)-2-methoxy-N-methylbenzamide
CID 90103674
2-amino-4-fluoro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 55137012
4-amino-5-chloro-2-methoxy-N-[2-(4-methoxyphenoxy)ethyl]-N-methylbenzamide;hydrochloride
CID 119689180
4-amino-5-chloro-2-methoxy-N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]benzamide;hydrochloride
CID 119813032
5-chloro-2-hydroxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 38881006
4-amino-5-chloro-2-methoxy-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide;hydrochloride
CID 119691121
4-amino-5-chloro-2-methoxy-N-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 119814555
5-amino-2-fluoro-N,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 103295980

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride?
The IUPAC name of 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride (CID 119729329) is 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride.
What is the SMILES notation for 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride?
The canonical SMILES for 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride is COc1cc(N)c(Cl)cc1C(=O)N(C)Cc1cc(C)on1.Cl.
What is the InChIKey of 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride?
The InChIKey is CXWBAGGOFLLVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O3.ClH/c1-8-4-9(17-21-8)7-18(2)14(19)10-5-11(15)12(16)6-13(10)20-3;/h4-6H,7,16H2,1-3H3;1H.
What are the key properties of 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride?
4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride has a molecular weight of 346.21 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-2-methoxy-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide;hydrochloride is sourced from PubChem (CID 119729329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).