N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride

C15H24ClN5O2 — CID 119665253

IUPACN-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1nc(-c2cnn(C)c2)oc1C.Cl
InChIInChI=1S/C15H23N5O2.ClH/c1-4-5-6-12(7-16)18-14(21)13-10(2)22-15(19-13)11-8-17-20(3)9-11;/h8-9,12H,4-7,16H2,1-3H3,(H,18,21);1H
InChIKeyGHWNEJILFZIWFJ-UHFFFAOYSA-N
MW341.84 g/mol
LogP2.05
Rot. Bonds7

About N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride

N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 119665253) has the molecular formula C15H24ClN5O2 and a molecular weight of 341.84 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID119665253
Molecular FormulaC15H24ClN5O2
Molecular Weight341.84 g/mol
Exact Mass341.16
IUPAC NameN-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCCCCC(CN)NC(=O)c1nc(-c2cnn(C)c2)oc1C.Cl
InChIInChI=1S/C15H23N5O2.ClH/c1-4-5-6-12(7-16)18-14(21)13-10(2)22-15(19-13)11-8-17-20(3)9-11;/h8-9,12H,4-7,16H2,1-3H3,(H,18,21);1H
InChIKeyGHWNEJILFZIWFJ-UHFFFAOYSA-N
XLogP2.05
TPSA98.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride (CID 119665253) is N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride is CCCCC(CN)NC(=O)c1nc(-c2cnn(C)c2)oc1C.Cl.
What is the InChIKey of N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is GHWNEJILFZIWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2.ClH/c1-4-5-6-12(7-16)18-14(21)13-10(2)22-15(19-13)11-8-17-20(3)9-11;/h8-9,12H,4-7,16H2,1-3H3,(H,18,21);1H.
What are the key properties of N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride?
N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 341.84 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-5-methyl-2-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119665253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).