N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

C16H21N3O2 — CID 120651301

IUPACN-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1ncoc1-c1ccc(C)cc1
InChIInChI=1S/C16H21N3O2/c1-4-17-12(3)9-18-16(20)14-15(21-10-19-14)13-7-5-11(2)6-8-13/h5-8,10,12,17H,4,9H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyIZXNZVRADOYLNU-GFCCVEGCSA-N
MW287.36 g/mol
LogP2.38
Rot. Bonds6

About N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide

N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 120651301) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID120651301
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCN[C@H](C)CNC(=O)c1ncoc1-c1ccc(C)cc1
InChIInChI=1S/C16H21N3O2/c1-4-17-12(3)9-18-16(20)14-15(21-10-19-14)13-7-5-11(2)6-8-13/h5-8,10,12,17H,4,9H2,1-3H3,(H,18,20)/t12-/m1/s1
InChIKeyIZXNZVRADOYLNU-GFCCVEGCSA-N
XLogP2.38
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-hydroxy-3-(2-methylpropoxy)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 97006110
N-(3-hydroxy-4-methylpentyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111463100
N-[2-(methylamino)ethyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide;dihydrochloride
CID 119502119
N-[(2-hydroxycyclopentyl)methyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 111471045
5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 2739751
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide
CID 120653289
N-[(2R)-2-(ethylamino)propyl]-2,4-dimethylbenzamide;hydrochloride
CID 120653288
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide
CID 3232273
3-[methyl-[5-(4-methylphenyl)-1,3-oxazole-4-carbonyl]amino]propanoic acid
CID 119232828
2-[(5-phenyl-1,3-oxazole-4-carbonyl)amino]ethylcarbamic acid
CID 67884067
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide
CID 120654085
N-[(2R)-2-(ethylamino)propyl]-4-[(4-methylphenyl)sulfonylmethyl]benzamide
CID 120654941

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide (CID 120651301) is N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is CCN[C@H](C)CNC(=O)c1ncoc1-c1ccc(C)cc1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IZXNZVRADOYLNU-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-17-12(3)9-18-16(20)14-15(21-10-19-14)13-7-5-11(2)6-8-13/h5-8,10,12,17H,4,9H2,1-3H3,(H,18,20)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide?
N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.38, 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]-5-(4-methylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 120651301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).