N-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide

C16H23N5O3 — CID 129148719

IUPACN-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide
SMILESCC(=O)NC1C(C)OC(Cn2cc(-c3ncco3)nn2)C(C)C1C
InChIInChI=1S/C16H23N5O3/c1-9-10(2)15(18-12(4)22)11(3)24-14(9)8-21-7-13(19-20-21)16-17-5-6-23-16/h5-7,9-11,14-15H,8H2,1-4H3,(H,18,22)
InChIKeyRXHBSSXDEXXYID-UHFFFAOYSA-N
MW333.39 g/mol
LogP1.50
Rot. Bonds4

About N-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide

N-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide (PubChem CID 129148719) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide
PubChem CID129148719
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide
SMILESCC(=O)NC1C(C)OC(Cn2cc(-c3ncco3)nn2)C(C)C1C
InChIInChI=1S/C16H23N5O3/c1-9-10(2)15(18-12(4)22)11(3)24-14(9)8-21-7-13(19-20-21)16-17-5-6-23-16/h5-7,9-11,14-15H,8H2,1-4H3,(H,18,22)
InChIKeyRXHBSSXDEXXYID-UHFFFAOYSA-N
XLogP1.50
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide?
The IUPAC name of N-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide (CID 129148719) is N-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide.
What is the SMILES notation for N-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide?
The canonical SMILES for N-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide is CC(=O)NC1C(C)OC(Cn2cc(-c3ncco3)nn2)C(C)C1C.
What is the InChIKey of N-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide?
The InChIKey is RXHBSSXDEXXYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-9-10(2)15(18-12(4)22)11(3)24-14(9)8-21-7-13(19-20-21)16-17-5-6-23-16/h5-7,9-11,14-15H,8H2,1-4H3,(H,18,22).
What are the key properties of N-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide?
N-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide has a molecular weight of 333.39 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4,5-trimethyl-6-[[4-(1,3-oxazol-2-yl)triazol-1-yl]methyl]oxan-3-yl]acetamide is sourced from PubChem (CID 129148719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).