N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride

C14H17Cl2N3O2 — CID 119498092

IUPACN-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cc(-c2ccc(Cl)cc2)on1.Cl
InChIInChI=1S/C14H16ClN3O2.ClH/c1-9(16)6-7-17-14(19)12-8-13(20-18-12)10-2-4-11(15)5-3-10;/h2-5,8-9H,6-7,16H2,1H3,(H,17,19);1H
InChIKeyLMCSBOQUMGZXRY-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.88
Rot. Bonds5

About N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride

N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride (PubChem CID 119498092) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
PubChem CID119498092
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC NameN-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1cc(-c2ccc(Cl)cc2)on1.Cl
InChIInChI=1S/C14H16ClN3O2.ClH/c1-9(16)6-7-17-14(19)12-8-13(20-18-12)10-2-4-11(15)5-3-10;/h2-5,8-9H,6-7,16H2,1H3,(H,17,19);1H
InChIKeyLMCSBOQUMGZXRY-UHFFFAOYSA-N
XLogP2.88
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride (CID 119498092) is N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride is CC(N)CCNC(=O)c1cc(-c2ccc(Cl)cc2)on1.Cl.
What is the InChIKey of N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride?
The InChIKey is LMCSBOQUMGZXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2.ClH/c1-9(16)6-7-17-14(19)12-8-13(20-18-12)10-2-4-11(15)5-3-10;/h2-5,8-9H,6-7,16H2,1H3,(H,17,19);1H.
What are the key properties of N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride?
N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride has a molecular weight of 330.22 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride is sourced from PubChem (CID 119498092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).