N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide

C17H22N2O3 — CID 111437218

IUPACN-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C17H22N2O3/c1-3-12(4-2)15(20)10-18-16(21)14-11-22-17(19-14)13-8-6-5-7-9-13/h5-9,11-12,15,20H,3-4,10H2,1-2H3,(H,18,21)
InChIKeyIJABYPRSFITTHC-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.87
Rot. Bonds7

About N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide

N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide (PubChem CID 111437218) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide
PubChem CID111437218
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide
SMILESCCC(CC)C(O)CNC(=O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C17H22N2O3/c1-3-12(4-2)15(20)10-18-16(21)14-11-22-17(19-14)13-8-6-5-7-9-13/h5-9,11-12,15,20H,3-4,10H2,1-2H3,(H,18,21)
InChIKeyIJABYPRSFITTHC-UHFFFAOYSA-N
XLogP2.87
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120651572
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
N-[(2R)-2-hydroxy-2-[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]ethyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 118929969
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 50755014
2-phenyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 50755040
3,3-dimethyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 91644907
2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide
CID 3872955
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099
methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 139229794
methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 139229788
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-2-phenyl-1,3-oxazole-4-carboxamide
CID 120891409

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide (CID 111437218) is N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide is CCC(CC)C(O)CNC(=O)c1coc(-c2ccccc2)n1.
What is the InChIKey of N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide?
The InChIKey is IJABYPRSFITTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-12(4-2)15(20)10-18-16(21)14-11-22-17(19-14)13-8-6-5-7-9-13/h5-9,11-12,15,20H,3-4,10H2,1-2H3,(H,18,21).
What are the key properties of N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide?
N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 111437218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).