[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride

C19H26ClN3O3 — CID 119664718

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
SMILESCc1nc(-c2ccccc2)oc1C(=O)N1CCC(OCCCN)CC1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-14-17(25-18(21-14)15-6-3-2-4-7-15)19(23)22-11-8-16(9-12-22)24-13-5-10-20;/h2-4,6-7,16H,5,8-13,20H2,1H3;1H
InChIKeyZXNXZBRCSFYILF-UHFFFAOYSA-N
MW379.89 g/mol
LogP3.04
Rot. Bonds6

About [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride

[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride (PubChem CID 119664718) has the molecular formula C19H26ClN3O3 and a molecular weight of 379.89 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
PubChem CID119664718
Molecular FormulaC19H26ClN3O3
Molecular Weight379.89 g/mol
Exact Mass379.17
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
SMILESCc1nc(-c2ccccc2)oc1C(=O)N1CCC(OCCCN)CC1.Cl
InChIInChI=1S/C19H25N3O3.ClH/c1-14-17(25-18(21-14)15-6-3-2-4-7-15)19(23)22-11-8-16(9-12-22)24-13-5-10-20;/h2-4,6-7,16H,5,8-13,20H2,1H3;1H
InChIKeyZXNXZBRCSFYILF-UHFFFAOYSA-N
XLogP3.04
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-aminopropoxy)piperidin-1-yl]-(3,7-dimethyl-1-benzofuran-2-yl)methanone;hydrochloride
CID 119664624
[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-1,2-oxazol-5-yl)methanone
CID 79737157
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 119664011
[4-(3-aminopropoxy)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 119663024
[4-(3-aminopropoxy)piperidin-1-yl]-(1-phenylcyclopropyl)methanone;hydrochloride
CID 119661960
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
CID 119663957
[4-(3-aminopropoxy)piperidin-1-yl]-(5-bromo-3-methyl-1-benzofuran-2-yl)methanone
CID 119662106
[4-(3-aminopropoxy)piperidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 119664331
[4-(3-aminopropoxy)piperidin-1-yl]-(2-phenoxyphenyl)methanone;hydrochloride
CID 119662357
[3-(methylaminomethyl)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride
CID 119399001
[4-(3-aminopropoxy)piperidin-1-yl]-(2-propan-2-ylquinolin-4-yl)methanone
CID 119664455
[4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
CID 79731777

Frequently Asked Questions

What is the IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride (CID 119664718) is [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride is Cc1nc(-c2ccccc2)oc1C(=O)N1CCC(OCCCN)CC1.Cl.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride?
The InChIKey is ZXNXZBRCSFYILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.ClH/c1-14-17(25-18(21-14)15-6-3-2-4-7-15)19(23)22-11-8-16(9-12-22)24-13-5-10-20;/h2-4,6-7,16H,5,8-13,20H2,1H3;1H.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride?
[4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride has a molecular weight of 379.89 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(4-methyl-2-phenyl-1,3-oxazol-5-yl)methanone;hydrochloride is sourced from PubChem (CID 119664718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).