methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate

C17H17ClN2O4 — CID 99842705

IUPACmethyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2coc(C3CCC3)n2)c1C
InChIInChI=1S/C17H17ClN2O4/c1-9-11(17(22)23-2)6-7-12(18)14(9)20-15(21)13-8-24-16(19-13)10-4-3-5-10/h6-8,10H,3-5H2,1-2H3,(H,20,21)
InChIKeyRAIOEHUNBNYLQZ-UHFFFAOYSA-N
MW348.79 g/mol
LogP3.94
Rot. Bonds4

About methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate

methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate (PubChem CID 99842705) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate
PubChem CID99842705
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Namemethyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)c2coc(C3CCC3)n2)c1C
InChIInChI=1S/C17H17ClN2O4/c1-9-11(17(22)23-2)6-7-12(18)14(9)20-15(21)13-8-24-16(19-13)10-4-3-5-10/h6-8,10H,3-5H2,1-2H3,(H,20,21)
InChIKeyRAIOEHUNBNYLQZ-UHFFFAOYSA-N
XLogP3.94
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate with MolForge

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Related Compounds

2-cyclobutyl-1,3-oxazole-4-carboxylic acid
CID 53399655
2-cyclobutyl-N-[4-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]cyclohexyl]-1,3-oxazole-4-carboxamide
CID 167759305
N-(6-carbamoyl-3-pyridinyl)-2-cyclobutyl-1,3-oxazole-4-carboxamide
CID 126784346
2-cyclobutyl-N-[4-ethyl-3-(trifluoromethyl)-1,2-oxazol-5-yl]-1,3-oxazole-4-carboxamide
CID 154744309
ethane;methyl 2-(azetidin-3-yl)-1,3-oxazole-4-carboxylate
CID 145298096
2-cyclobutyl-N-[1-[2-(4-methoxyanilino)-2-oxoethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 126784378
2-(oxan-4-yl)-N-(1H-pyrazol-4-yl)-1,3-oxazole-4-carboxamide
CID 127905949
methyl 2-(4-ethylcyclohexyl)-6-[(2-methyl-1,3-oxazole-4-carbonyl)amino]-1,3-benzoxazole-5-carboxylate
CID 170239315
N-cyclobutylsulfonyl-2-cyclopropyl-1,3-oxazole-4-carboxamide
CID 167760220
methyl 4-chloro-3-hydroxy-2-methylbenzoate
CID 22559906
N-[4-chloro-5-[[(1S,2R,3S)-2,3-dihydroxycyclohexyl]carbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]-2-cyclopropyl-1,3-oxazole-4-carboxamide
CID 71667658
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
CID 67460578

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate?
The IUPAC name of methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate (CID 99842705) is methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate.
What is the SMILES notation for methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate?
The canonical SMILES for methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate is COC(=O)c1ccc(Cl)c(NC(=O)c2coc(C3CCC3)n2)c1C.
What is the InChIKey of methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate?
The InChIKey is RAIOEHUNBNYLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-9-11(17(22)23-2)6-7-12(18)14(9)20-15(21)13-8-24-16(19-13)10-4-3-5-10/h6-8,10H,3-5H2,1-2H3,(H,20,21).
What are the key properties of methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate?
methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate has a molecular weight of 348.79 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[(2-cyclobutyl-1,3-oxazole-4-carbonyl)amino]-2-methylbenzoate is sourced from PubChem (CID 99842705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).