4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene

C18H22N2O5 — CID 118536979

IUPAC4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene
SMILESO=C(NCC1CCOC1)c1nocc1CO.c1cc2cc(c1)COC2
InChIInChI=1S/C10H14N2O4.C8H8O/c13-4-8-6-16-12-9(8)10(14)11-3-7-1-2-15-5-7;1-2-7-4-8(3-1)6-9-5-7/h6-7,13H,1-5H2,(H,11,14);1-4H,5-6H2
InChIKeyRKDMUNNDRNLLOB-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.65
Rot. Bonds4

About 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene

4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene (PubChem CID 118536979) has the molecular formula C18H22N2O5 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene
PubChem CID118536979
Molecular FormulaC18H22N2O5
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene
SMILESO=C(NCC1CCOC1)c1nocc1CO.c1cc2cc(c1)COC2
InChIInChI=1S/C10H14N2O4.C8H8O/c13-4-8-6-16-12-9(8)10(14)11-3-7-1-2-15-5-7;1-2-7-4-8(3-1)6-9-5-7/h6-7,13H,1-5H2,(H,11,14);1-4H,5-6H2
InChIKeyRKDMUNNDRNLLOB-UHFFFAOYSA-N
XLogP1.65
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethyl-N-[[(3S)-oxolan-3-yl]methyl]pyridine-2-carboxamide
CID 169269388
ethane;3-methyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 169269117
5-[(2-fluorophenyl)methoxymethyl]-4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325978
5-[(2,3-difluorophenyl)methoxymethyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325977
N-(oxolan-3-ylmethyl)-5-(4-phenoxybutyl)-1,2-oxazole-3-carboxamide
CID 90325844
5-[(2-methoxyphenyl)methyl]-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90325779
3-(dimethylamino)-N-(oxolan-3-ylmethyl)benzamide
CID 47179453
5-(benzylsulfanylmethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
CID 90326219
3,5-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103892243
2-(methylamino)-N-(oxolan-3-ylmethyl)pyridine-3-carboxamide
CID 62824934
2,4-dihydroxy-N-(oxolan-3-ylmethyl)benzamide
CID 103614166
N-(oxolan-3-ylmethyl)-5-(1-phenylmethoxyethyl)-1,2-oxazole-3-carboxamide
CID 90326189

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene?
The IUPAC name of 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene (CID 118536979) is 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene.
What is the SMILES notation for 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene?
The canonical SMILES for 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene is O=C(NCC1CCOC1)c1nocc1CO.c1cc2cc(c1)COC2.
What is the InChIKey of 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene?
The InChIKey is RKDMUNNDRNLLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4.C8H8O/c13-4-8-6-16-12-9(8)10(14)11-3-7-1-2-15-5-7;1-2-7-4-8(3-1)6-9-5-7/h6-7,13H,1-5H2,(H,11,14);1-4H,5-6H2.
What are the key properties of 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene?
4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene has a molecular weight of 346.38 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide;3-oxabicyclo[3.3.1]nona-1(9),5,7-triene is sourced from PubChem (CID 118536979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).