methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate

C17H20N2O4 — CID 139229788

IUPACmethyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C17H20N2O4/c1-11(2)9-13(17(21)22-3)18-15(20)14-10-23-16(19-14)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,18,20)
InChIKeyJEEYQTHAJMRCMJ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.66
Rot. Bonds6

About methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate

methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate (PubChem CID 139229788) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
PubChem CID139229788
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Namemethyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1coc(-c2ccccc2)n1
InChIInChI=1S/C17H20N2O4/c1-11(2)9-13(17(21)22-3)18-15(20)14-10-23-16(19-14)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,18,20)
InChIKeyJEEYQTHAJMRCMJ-UHFFFAOYSA-N
XLogP2.66
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-phenyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]propanoate
CID 139229794
3-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoic acid
CID 119211721
N-(2-amino-1-cyclopropylethyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 119617767
3,3-dimethyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]butanoic acid
CID 91644907
2-(2-aminophenyl)-N-(4-methylpentan-2-yl)-1,3-oxazole-4-carboxamide
CID 3431845
methyl (2R)-4-methyl-2-(phenylcarbamoylamino)pentanoate
CID 721455
N-[(2R)-2-(ethylamino)propyl]-2-phenyl-1,3-oxazole-4-carboxamide;hydrochloride
CID 120651572
2-(4-aminophenyl)-N-benzhydryl-1,3-oxazole-4-carboxamide
CID 3835810
methyl 4-methyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)pentanoate
CID 78302283
methyl (2S)-2-[(2-iodobenzoyl)amino]-4-methylpentanoate
CID 1224241
2-(4-aminophenyl)-N-pentan-3-yl-1,3-oxazole-4-carboxamide
CID 3872955
N-(3-ethyl-2-hydroxypentyl)-2-phenyl-1,3-oxazole-4-carboxamide
CID 111437218

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate (CID 139229788) is methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)c1coc(-c2ccccc2)n1.
What is the InChIKey of methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate?
The InChIKey is JEEYQTHAJMRCMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11(2)9-13(17(21)22-3)18-15(20)14-10-23-16(19-14)12-7-5-4-6-8-12/h4-8,10-11,13H,9H2,1-3H3,(H,18,20).
What are the key properties of methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate?
methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate has a molecular weight of 316.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-phenyl-1,3-oxazole-4-carbonyl)amino]pentanoate is sourced from PubChem (CID 139229788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).