2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide

C14H22N2O3 — CID 122562953

IUPAC2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide
SMILESCC(C)c1cc(CNC(=O)C2(C)CCCCO2)no1
InChIInChI=1S/C14H22N2O3/c1-10(2)12-8-11(16-19-12)9-15-13(17)14(3)6-4-5-7-18-14/h8,10H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyHTKVBRQSYNALFR-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.37
Rot. Bonds4

About 2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide

2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide (PubChem CID 122562953) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide
PubChem CID122562953
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide
SMILESCC(C)c1cc(CNC(=O)C2(C)CCCCO2)no1
InChIInChI=1S/C14H22N2O3/c1-10(2)12-8-11(16-19-12)9-15-13(17)14(3)6-4-5-7-18-14/h8,10H,4-7,9H2,1-3H3,(H,15,17)
InChIKeyHTKVBRQSYNALFR-UHFFFAOYSA-N
XLogP2.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide?
The IUPAC name of 2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide (CID 122562953) is 2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide.
What is the SMILES notation for 2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide?
The canonical SMILES for 2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide is CC(C)c1cc(CNC(=O)C2(C)CCCCO2)no1.
What is the InChIKey of 2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide?
The InChIKey is HTKVBRQSYNALFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-10(2)12-8-11(16-19-12)9-15-13(17)14(3)6-4-5-7-18-14/h8,10H,4-7,9H2,1-3H3,(H,15,17).
What are the key properties of 2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide?
2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(5-propan-2-yl-1,2-oxazol-3-yl)methyl]oxane-2-carboxamide is sourced from PubChem (CID 122562953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).