propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate

C15H16N2O4 — CID 43409696

IUPACpropyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cnoc2C)cc1
InChIInChI=1S/C15H16N2O4/c1-3-8-20-15(19)11-4-6-12(7-5-11)17-14(18)13-9-16-21-10(13)2/h4-7,9H,3,8H2,1-2H3,(H,17,18)
InChIKeyZRVRBEWFHACNKR-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.80
Rot. Bonds5

About propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate

propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate (PubChem CID 43409696) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namepropyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
PubChem CID43409696
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Namepropyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
SMILESCCCOC(=O)c1ccc(NC(=O)c2cnoc2C)cc1
InChIInChI=1S/C15H16N2O4/c1-3-8-20-15(19)11-4-6-12(7-5-11)17-14(18)13-9-16-21-10(13)2/h4-7,9H,3,8H2,1-2H3,(H,17,18)
InChIKeyZRVRBEWFHACNKR-UHFFFAOYSA-N
XLogP2.80
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 4-[(6-methylpyridine-3-carbonyl)amino]benzoate
CID 51331436
N-(4-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 19439747
propyl 4-(pyrimidine-5-carbonylamino)benzoate
CID 104625950
diethyl 2-[[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoyl]amino]pentanedioate
CID 11070049
5-methyl-N-[4-(2-methylbutan-2-yl)phenyl]-1,2-oxazole-4-carboxamide
CID 19871639
butyl 4-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2163924
ethyl 3-bromo-4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate
CID 43623843
propyl 4-[[4-(4-methylpyrazol-1-yl)benzoyl]amino]benzoate
CID 55771754
propyl 4-[[5-(3,5-dichlorophenyl)-2-methylfuran-3-carbonyl]amino]benzoate
CID 18808872
3-ethyl-5-methyl-N-[4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]phenyl]-1,2-oxazole-4-carboxamide
CID 51125656
propyl 4-[(2-ethoxybenzoyl)amino]benzoate
CID 4565616
propyl 4-(1H-imidazole-5-carbonylamino)benzoate
CID 63929483

Frequently Asked Questions

What is the IUPAC name of propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate?
The IUPAC name of propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate (CID 43409696) is propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate.
What is the SMILES notation for propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate?
The canonical SMILES for propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate is CCCOC(=O)c1ccc(NC(=O)c2cnoc2C)cc1.
What is the InChIKey of propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate?
The InChIKey is ZRVRBEWFHACNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-3-8-20-15(19)11-4-6-12(7-5-11)17-14(18)13-9-16-21-10(13)2/h4-7,9H,3,8H2,1-2H3,(H,17,18).
What are the key properties of propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate?
propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate has a molecular weight of 288.30 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 4-[(5-methyl-1,2-oxazole-4-carbonyl)amino]benzoate is sourced from PubChem (CID 43409696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).