2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide

C14H22N2O3 — CID 100638775

IUPAC2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@H]2CCO[C@@H]2C(C)C)o1
InChIInChI=1S/C14H22N2O3/c1-8(2)12-11(5-6-18-12)7-15-14(17)13-9(3)16-10(4)19-13/h8,11-12H,5-7H2,1-4H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyIBGDBHXAXZNNKO-VXGBXAGGSA-N
MW266.34 g/mol
LogP2.08
Rot. Bonds4

About 2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide

2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide (PubChem CID 100638775) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide
PubChem CID100638775
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC[C@H]2CCO[C@@H]2C(C)C)o1
InChIInChI=1S/C14H22N2O3/c1-8(2)12-11(5-6-18-12)7-15-14(17)13-9(3)16-10(4)19-13/h8,11-12H,5-7H2,1-4H3,(H,15,17)/t11-,12-/m1/s1
InChIKeyIBGDBHXAXZNNKO-VXGBXAGGSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide (CID 100638775) is 2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)NC[C@H]2CCO[C@@H]2C(C)C)o1.
What is the InChIKey of 2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide?
The InChIKey is IBGDBHXAXZNNKO-VXGBXAGGSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-8(2)12-11(5-6-18-12)7-15-14(17)13-9(3)16-10(4)19-13/h8,11-12H,5-7H2,1-4H3,(H,15,17)/t11-,12-/m1/s1.
What are the key properties of 2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide?
2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[[(2R,3R)-2-propan-2-yloxolan-3-yl]methyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 100638775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).