3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide

C11H18N2O3 — CID 90573695

IUPAC3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N(C(C)C)C(C)C)on1
InChIInChI=1S/C11H18N2O3/c1-7(2)13(8(3)4)11(14)9-6-10(15-5)12-16-9/h6-8H,1-5H3
InChIKeySGLYGUMCIFWQSM-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.94
Rot. Bonds4

About 3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide

3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide (PubChem CID 90573695) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide
PubChem CID90573695
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)N(C(C)C)C(C)C)on1
InChIInChI=1S/C11H18N2O3/c1-7(2)13(8(3)4)11(14)9-6-10(15-5)12-16-9/h6-8H,1-5H3
InChIKeySGLYGUMCIFWQSM-UHFFFAOYSA-N
XLogP1.94
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide (CID 90573695) is 3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide is COc1cc(C(=O)N(C(C)C)C(C)C)on1.
What is the InChIKey of 3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is SGLYGUMCIFWQSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(2)13(8(3)4)11(14)9-6-10(15-5)12-16-9/h6-8H,1-5H3.
What are the key properties of 3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide?
3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,N-di(propan-2-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 90573695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).