tert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate

C16H18N2O4 — CID 84593532

IUPACtert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate
SMILESCc1oncc1NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H18N2O4/c1-10-13(9-17-22-10)18-14(19)11-5-7-12(8-6-11)15(20)21-16(2,3)4/h5-9H,1-4H3,(H,18,19)
InChIKeyWMPQGNJGHNCNAK-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate

tert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate (PubChem CID 84593532) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is tert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate.

Molecular Properties

Compound Nametert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate
PubChem CID84593532
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Nametert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate
SMILESCc1oncc1NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C16H18N2O4/c1-10-13(9-17-22-10)18-14(19)11-5-7-12(8-6-11)15(20)21-16(2,3)4/h5-9H,1-4H3,(H,18,19)
InChIKeyWMPQGNJGHNCNAK-UHFFFAOYSA-N
XLogP3.19
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-(hydroxycarbamoyl)benzoate
CID 164566523
4-[[4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]benzoyl]amino]benzoyl]amino]benzoic acid
CID 155124786
ditert-butyl benzene-1,4-dicarboxylate;hydrazine
CID 70440346
tert-butyl 6-oxa-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1,3,5(9),7,10,12,14,16,18,20-decaene-17-carboxylate
CID 141443468
tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]carbamoylamino]benzoate
CID 25179118
tert-butyl 4-(hydroxyamino)benzoate
CID 45089836
tert-butyl 4-[amino(dihydroxy)methyl]benzoate
CID 144609982
2,2-difluoro-N-(5-methyl-1,2-oxazol-4-yl)butanamide
CID 69389760
4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]benzoic acid
CID 68734535
tert-butyl 4-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]benzoate
CID 70169590
tert-butyl 4-bis[4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]phosphoryloxybenzoate
CID 53392914
CID 162139404
CID 162139404

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate?
The IUPAC name of tert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate (CID 84593532) is tert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate.
What is the SMILES notation for tert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate?
The canonical SMILES for tert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate is Cc1oncc1NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate?
The InChIKey is WMPQGNJGHNCNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-13(9-17-22-10)18-14(19)11-5-7-12(8-6-11)15(20)21-16(2,3)4/h5-9H,1-4H3,(H,18,19).
What are the key properties of tert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate?
tert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate has a molecular weight of 302.33 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[(5-methyl-1,2-oxazol-4-yl)carbamoyl]benzoate is sourced from PubChem (CID 84593532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).