ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate

C12H18N2O4 — CID 15007138

IUPACethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate
SMILESCCOC(=O)CCCCNC(=O)c1cnoc1C
InChIInChI=1S/C12H18N2O4/c1-3-17-11(15)6-4-5-7-13-12(16)10-8-14-18-9(10)2/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyNBVXINZPFWISLK-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.45
Rot. Bonds7

About ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate

ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate (PubChem CID 15007138) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate
PubChem CID15007138
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nameethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate
SMILESCCOC(=O)CCCCNC(=O)c1cnoc1C
InChIInChI=1S/C12H18N2O4/c1-3-17-11(15)6-4-5-7-13-12(16)10-8-14-18-9(10)2/h8H,3-7H2,1-2H3,(H,13,16)
InChIKeyNBVXINZPFWISLK-UHFFFAOYSA-N
XLogP1.45
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(ethylamino)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 62657278
N-(2-acetamidoethyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 110682601
ethyl 6-[(4-hydroxybenzoyl)amino]hexanoate
CID 23657410
ethyl 4-(1H-pyrazole-4-carbonylamino)butanoate
CID 60788161
N-[3-[4-(dimethylamino)phenyl]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 71806116
ethyl 7-[(2-bromo-5-chlorobenzoyl)amino]heptanoate
CID 78901898
ethyl 4-[(2-aminobenzoyl)amino]butanoate;hydrochloride
CID 119944593
ethyl 4-[(5-chloro-2-methylbenzoyl)amino]butanoate
CID 113329829
ethyl 4-[(5-fluoropyridine-3-carbonyl)amino]butanoate
CID 115694518
N-[2-(4-methoxyphenoxy)ethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 110682600
5-methyl-N-(2-methylprop-2-enyl)-1,2-oxazole-4-carboxamide
CID 114618563
ethyl 6-[(4-ethoxy-4-oxobutyl)carbamoylamino]hexanoate
CID 3344425

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate?
The IUPAC name of ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate (CID 15007138) is ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate.
What is the SMILES notation for ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate?
The canonical SMILES for ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate is CCOC(=O)CCCCNC(=O)c1cnoc1C.
What is the InChIKey of ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate?
The InChIKey is NBVXINZPFWISLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-17-11(15)6-4-5-7-13-12(16)10-8-14-18-9(10)2/h8H,3-7H2,1-2H3,(H,13,16).
What are the key properties of ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate?
ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate has a molecular weight of 254.29 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoate is sourced from PubChem (CID 15007138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).