N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide

C16H19N3O4 — CID 25163236

IUPACN-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H19N3O4/c1-10-15(11(2)23-18-10)16(21)19(3)9-14(20)17-12-6-5-7-13(8-12)22-4/h5-8H,9H2,1-4H3,(H,17,20)
InChIKeyBVAFIVGDENISRA-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.01
Rot. Bonds5

About N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide

N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide (PubChem CID 25163236) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
PubChem CID25163236
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(NC(=O)CN(C)C(=O)c2c(C)noc2C)c1
InChIInChI=1S/C16H19N3O4/c1-10-15(11(2)23-18-10)16(21)19(3)9-14(20)17-12-6-5-7-13(8-12)22-4/h5-8H,9H2,1-4H3,(H,17,20)
InChIKeyBVAFIVGDENISRA-UHFFFAOYSA-N
XLogP2.01
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide (CID 25163236) is N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide is COc1cccc(NC(=O)CN(C)C(=O)c2c(C)noc2C)c1.
What is the InChIKey of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is BVAFIVGDENISRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-10-15(11(2)23-18-10)16(21)19(3)9-14(20)17-12-6-5-7-13(8-12)22-4/h5-8H,9H2,1-4H3,(H,17,20).
What are the key properties of N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide?
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methoxyanilino)-2-oxoethyl]-N,3,5-trimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 25163236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).