4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide

C16H20ClN3O3 — CID 119821115

IUPAC4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide
SMILESCCc1noc(CC)c1CNC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C16H20ClN3O3/c1-4-13-10(14(5-2)23-20-13)8-19-16(21)9-6-11(17)12(18)7-15(9)22-3/h6-7H,4-5,8,18H2,1-3H3,(H,19,21)
InChIKeyXDSIIVWVKMBCSY-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.97
Rot. Bonds6

About 4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide

4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide (PubChem CID 119821115) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound Name4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide
PubChem CID119821115
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide
SMILESCCc1noc(CC)c1CNC(=O)c1cc(Cl)c(N)cc1OC
InChIInChI=1S/C16H20ClN3O3/c1-4-13-10(14(5-2)23-20-13)8-19-16(21)9-6-11(17)12(18)7-15(9)22-3/h6-7H,4-5,8,18H2,1-3H3,(H,19,21)
InChIKeyXDSIIVWVKMBCSY-UHFFFAOYSA-N
XLogP2.97
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[[(4-amino-5-chloro-2-methoxybenzoyl)amino]methyl]-2-methylfuran-3-carboxylate
CID 119731058
4-amino-5-chloro-2-methoxy-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]benzamide
CID 119878835
4-amino-5-chloro-2-methoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 119760302
2-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-N,N-diethylethanamine oxide;hydrochloride
CID 175674084
4-amino-5-chloro-2-methoxy-N-[3-(methylamino)propyl]benzamide
CID 122080226
4-amino-5-chloro-2-methoxy-N-(2-methoxy-2-methylpropyl)benzamide
CID 119790756
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate
CID 119789400
ethyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2-methylpropanoate;hydrochloride
CID 119789268
4-amino-5-chloro-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methoxybenzamide
CID 119835495
4-amino-5-chloro-2-methoxy-N-propan-2-ylbenzamide
CID 70318142
methyl 3-[(4-amino-5-chloro-2-methoxybenzoyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789399
4-amino-5-chloro-N-[3-(dimethylamino)-3-ethylpentyl]-2-methoxybenzamide
CID 10617240

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide?
The IUPAC name of 4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide (CID 119821115) is 4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for 4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for 4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide is CCc1noc(CC)c1CNC(=O)c1cc(Cl)c(N)cc1OC.
What is the InChIKey of 4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide?
The InChIKey is XDSIIVWVKMBCSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c1-4-13-10(14(5-2)23-20-13)8-19-16(21)9-6-11(17)12(18)7-15(9)22-3/h6-7H,4-5,8,18H2,1-3H3,(H,19,21).
What are the key properties of 4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide?
4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide has a molecular weight of 337.81 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-chloro-N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 119821115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).