N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride

C15H20ClN3O2 — CID 120651572

IUPACN-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1coc(-c2ccccc2)n1.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-3-16-11(2)9-17-14(19)13-10-20-15(18-13)12-7-5-4-6-8-12;/h4-8,10-11,16H,3,9H2,1-2H3,(H,17,19);1H/t11-;/m1./s1
InChIKeyPIJKIIZHTIDPCZ-RFVHGSKJSA-N
MW309.80 g/mol
LogP2.49
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride

N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 120651572) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID120651572
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCCN[C@H](C)CNC(=O)c1coc(-c2ccccc2)n1.Cl
InChIInChI=1S/C15H19N3O2.ClH/c1-3-16-11(2)9-17-14(19)13-10-20-15(18-13)12-7-5-4-6-8-12;/h4-8,10-11,16H,3,9H2,1-2H3,(H,17,19);1H/t11-;/m1./s1
InChIKeyPIJKIIZHTIDPCZ-RFVHGSKJSA-N
XLogP2.49
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 111437218
2-(4-aminophenyl)-N-(2-phenylpropyl)-1,3-oxazole-4-carboxamide
CID 5165501
3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
CID 119211721
2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 50755040
N-[(2R)-2-(ethylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120654614
methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 139229788
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 50755014
2-(2-aminophenyl)-N-(2-methylpropyl)-1,3-oxazole-4-carboxamide
CID 3468332
3-[(2-phenyl-1,3-oxazole-4-carbonyl)-propan-2-ylamino]propanoic acid
CID 119207123
5-methyl-N-[2-(methylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120827128
5-(3-chlorophenyl)-N-[(2R)-2-(ethylamino)propyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 120652870
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120654528

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride (CID 120651572) is N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride is CCN[C@H](C)CNC(=O)c1coc(-c2ccccc2)n1.Cl.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is PIJKIIZHTIDPCZ-RFVHGSKJSA-N. The full InChI is InChI=1S/C15H19N3O2.ClH/c1-3-16-11(2)9-17-14(19)13-10-20-15(18-13)12-7-5-4-6-8-12;/h4-8,10-11,16H,3,9H2,1-2H3,(H,17,19);1H/t11-;/m1./s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride?
N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 309.80 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 120651572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).