N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide

C10H14N2O4 — CID 103954215

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1ccon1
InChIInChI=1S/C10H14N2O4/c13-7-10(2-5-15-6-3-10)11-9(14)8-1-4-16-12-8/h1,4,13H,2-3,5-7H2,(H,11,14)
InChIKeyYMHJBFSEWUUDSU-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.05
Rot. Bonds3

About N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 103954215) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID103954215
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1ccon1
InChIInChI=1S/C10H14N2O4/c13-7-10(2-5-15-6-3-10)11-9(14)8-1-4-16-12-8/h1,4,13H,2-3,5-7H2,(H,11,14)
InChIKeyYMHJBFSEWUUDSU-UHFFFAOYSA-N
XLogP-0.05
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(1,2-oxazole-3-carbonylamino)cyclohexyl]acetic acid
CID 64672317
4-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyridine-2-carboxamide
CID 104630550
N-[4-(hydroxymethyl)oxan-4-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 103954300
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
1-(1,2-oxazole-3-carbonylamino)cyclobutane-1-carboxylic acid
CID 81158788
5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide
CID 114170033
N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 103954321
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]furan-3-carboxamide
CID 107091848
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
N-[4-(hydroxymethyl)oxan-4-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 103954059
3,5-dibromo-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 104630413
N-[4-(hydroxymethyl)oxan-4-yl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 103954223

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide (CID 103954215) is N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide is O=C(NC1(CO)CCOCC1)c1ccon1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is YMHJBFSEWUUDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c13-7-10(2-5-15-6-3-10)11-9(14)8-1-4-16-12-8/h1,4,13H,2-3,5-7H2,(H,11,14).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 226.23 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 103954215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).