N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide

C16H18N2O3 — CID 122158768

IUPACN-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide
SMILESCc1c(NC(=O)C2CCCOC2)cccc1-c1ncco1
InChIInChI=1S/C16H18N2O3/c1-11-13(16-17-7-9-21-16)5-2-6-14(11)18-15(19)12-4-3-8-20-10-12/h2,5-7,9,12H,3-4,8,10H2,1H3,(H,18,19)
InChIKeyBQWFYYZUTZWBCZ-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.02
Rot. Bonds3

About N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide

N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide (PubChem CID 122158768) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide
PubChem CID122158768
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide
SMILESCc1c(NC(=O)C2CCCOC2)cccc1-c1ncco1
InChIInChI=1S/C16H18N2O3/c1-11-13(16-17-7-9-21-16)5-2-6-14(11)18-15(19)12-4-3-8-20-10-12/h2,5-7,9,12H,3-4,8,10H2,1H3,(H,18,19)
InChIKeyBQWFYYZUTZWBCZ-UHFFFAOYSA-N
XLogP3.02
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide?
The IUPAC name of N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide (CID 122158768) is N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide.
What is the SMILES notation for N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide?
The canonical SMILES for N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide is Cc1c(NC(=O)C2CCCOC2)cccc1-c1ncco1.
What is the InChIKey of N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide?
The InChIKey is BQWFYYZUTZWBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11-13(16-17-7-9-21-16)5-2-6-14(11)18-15(19)12-4-3-8-20-10-12/h2,5-7,9,12H,3-4,8,10H2,1H3,(H,18,19).
What are the key properties of N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide?
N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(1,3-oxazol-2-yl)phenyl]oxane-3-carboxamide is sourced from PubChem (CID 122158768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).