N,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide

C9H14N2O4 — CID 58918045

IUPACN,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N(CCO)CCO
InChIInChI=1S/C9H14N2O4/c1-7-8(10-6-15-7)9(14)11(2-4-12)3-5-13/h6,12-13H,2-5H2,1H3
InChIKeyFWGCQGHZPKJREX-UHFFFAOYSA-N
MW214.22 g/mol
LogP-0.59
Rot. Bonds5

About N,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide

N,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide (PubChem CID 58918045) has the molecular formula C9H14N2O4 and a molecular weight of 214.22 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide
PubChem CID58918045
Molecular FormulaC9H14N2O4
Molecular Weight214.22 g/mol
Exact Mass214.10
IUPAC NameN,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide
SMILESCc1ocnc1C(=O)N(CCO)CCO
InChIInChI=1S/C9H14N2O4/c1-7-8(10-6-15-7)9(14)11(2-4-12)3-5-13/h6,12-13H,2-5H2,1H3
InChIKeyFWGCQGHZPKJREX-UHFFFAOYSA-N
XLogP-0.59
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide (CID 58918045) is N,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide is Cc1ocnc1C(=O)N(CCO)CCO.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is FWGCQGHZPKJREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O4/c1-7-8(10-6-15-7)9(14)11(2-4-12)3-5-13/h6,12-13H,2-5H2,1H3.
What are the key properties of N,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide?
N,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 214.22 g/mol, XLogP of -0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-5-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 58918045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).