N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride

C16H21Cl2N3O2 — CID 119570935

IUPACN-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cc(-c2ccc(Cl)cc2)on1.Cl
InChIInChI=1S/C16H20ClN3O2.ClH/c1-3-16(4-2,10-18)19-15(21)13-9-14(22-20-13)11-5-7-12(17)8-6-11;/h5-9H,3-4,10,18H2,1-2H3,(H,19,21);1H
InChIKeyCATGSYGGBTYFFU-UHFFFAOYSA-N
MW358.27 g/mol
LogP3.66
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119570935) has the molecular formula C16H21Cl2N3O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119570935
Molecular FormulaC16H21Cl2N3O2
Molecular Weight358.27 g/mol
Exact Mass357.10
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cc(-c2ccc(Cl)cc2)on1.Cl
InChIInChI=1S/C16H20ClN3O2.ClH/c1-3-16(4-2,10-18)19-15(21)13-9-14(22-20-13)11-5-7-12(17)8-6-11;/h5-9H,3-4,10,18H2,1-2H3,(H,19,21);1H
InChIKeyCATGSYGGBTYFFU-UHFFFAOYSA-N
XLogP3.66
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 119571702
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
5-(4-chlorophenyl)-N-(4-hydroxy-2-methylbutan-2-yl)-1,2-oxazole-3-carboxamide
CID 75448483
5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 119507911
ethyl 5-(4-chlorophenyl)-1,2-oxazole-3-carboxylate
CID 13035537
N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119498092
N-(1-amino-4-methylpentan-2-yl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119587682
N-[3-(aminomethyl)pentan-3-yl]-5-chloro-2-fluorobenzamide;hydrochloride
CID 119570891
N-[(1-aminocyclobutyl)methyl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 155820442
N-(3-amino-2,2-dimethylpropyl)-5-(4-chlorophenyl)-N-methyl-1,2-oxazole-3-carboxamide
CID 119655530
5-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
CID 17010920
N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119606599

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride (CID 119570935) is N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride is CCC(CC)(CN)NC(=O)c1cc(-c2ccc(Cl)cc2)on1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is CATGSYGGBTYFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O2.ClH/c1-3-16(4-2,10-18)19-15(21)13-9-14(22-20-13)11-5-7-12(17)8-6-11;/h5-9H,3-4,10,18H2,1-2H3,(H,19,21);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 358.27 g/mol, XLogP of 3.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119570935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).