5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride

C16H22ClN3O2 — CID 120635010

IUPAC5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC(C)Cc1c(C)noc1C.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-9-5-6-13(17)8-14(9)16(20)18-10(2)7-15-11(3)19-21-12(15)4;/h5-6,8,10H,7,17H2,1-4H3,(H,18,20);1H
InChIKeyIHQRODSAHPDANE-UHFFFAOYSA-N
MW323.82 g/mol
LogP2.96
Rot. Bonds4

About 5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride

5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride (PubChem CID 120635010) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride.

Molecular Properties

Compound Name5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride
PubChem CID120635010
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride
SMILESCc1ccc(N)cc1C(=O)NC(C)Cc1c(C)noc1C.Cl
InChIInChI=1S/C16H21N3O2.ClH/c1-9-5-6-13(17)8-14(9)16(20)18-10(2)7-15-11(3)19-21-12(15)4;/h5-6,8,10H,7,17H2,1-4H3,(H,18,20);1H
InChIKeyIHQRODSAHPDANE-UHFFFAOYSA-N
XLogP2.96
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 120692172
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5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-ylcarbamoyl]pyridine-2-carboxylic acid
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1-(5-chloro-8-methylquinolin-2-yl)-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]urea
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5-amino-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylbenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride?
The IUPAC name of 5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride (CID 120635010) is 5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride.
What is the SMILES notation for 5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride?
The canonical SMILES for 5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride is Cc1ccc(N)cc1C(=O)NC(C)Cc1c(C)noc1C.Cl.
What is the InChIKey of 5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride?
The InChIKey is IHQRODSAHPDANE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.ClH/c1-9-5-6-13(17)8-14(9)16(20)18-10(2)7-15-11(3)19-21-12(15)4;/h5-6,8,10H,7,17H2,1-4H3,(H,18,20);1H.
What are the key properties of 5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride?
5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride has a molecular weight of 323.82 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]-2-methylbenzamide;hydrochloride is sourced from PubChem (CID 120635010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).