(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate

C19H18N2O5 — CID 2400057

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2c(C)noc2C)cc1NC(=O)c1ccco1
InChIInChI=1S/C19H18N2O5/c1-11-6-7-14(9-16(11)20-18(22)17-5-4-8-24-17)19(23)25-10-15-12(2)21-26-13(15)3/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyLOOKELUVYUEYLS-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.80
Rot. Bonds5

About (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate

(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate (PubChem CID 2400057) has the molecular formula C19H18N2O5 and a molecular weight of 354.36 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
PubChem CID2400057
Molecular FormulaC19H18N2O5
Molecular Weight354.36 g/mol
Exact Mass354.12
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate
SMILESCc1ccc(C(=O)OCc2c(C)noc2C)cc1NC(=O)c1ccco1
InChIInChI=1S/C19H18N2O5/c1-11-6-7-14(9-16(11)20-18(22)17-5-4-8-24-17)19(23)25-10-15-12(2)21-26-13(15)3/h4-9H,10H2,1-3H3,(H,20,22)
InChIKeyLOOKELUVYUEYLS-UHFFFAOYSA-N
XLogP3.80
TPSA94.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate (CID 2400057) is (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate is Cc1ccc(C(=O)OCc2c(C)noc2C)cc1NC(=O)c1ccco1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
The InChIKey is LOOKELUVYUEYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O5/c1-11-6-7-14(9-16(11)20-18(22)17-5-4-8-24-17)19(23)25-10-15-12(2)21-26-13(15)3/h4-9H,10H2,1-3H3,(H,20,22).
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate?
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate has a molecular weight of 354.36 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(furan-2-carbonylamino)-4-methylbenzoate is sourced from PubChem (CID 2400057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).