3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

C12H18N2O4 — CID 103848731

IUPAC3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C12H18N2O4/c1-3-9-10(8(2)18-14-9)11(15)13-6-12(16)4-5-17-7-12/h16H,3-7H2,1-2H3,(H,13,15)
InChIKeyPCRHVOGCZXWNGJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.43
Rot. Bonds4

About 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide

3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 103848731) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID103848731
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCC1(O)CCOC1
InChIInChI=1S/C12H18N2O4/c1-3-9-10(8(2)18-14-9)11(15)13-6-12(16)4-5-17-7-12/h16H,3-7H2,1-2H3,(H,13,15)
InChIKeyPCRHVOGCZXWNGJ-UHFFFAOYSA-N
XLogP0.43
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438216
3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 129471324
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(3-hydroxyoxolan-3-yl)methyl]acetamide
CID 103849554
N-[(3-hydroxyoxolan-3-yl)methyl]-4-methyl-1,2-oxazole-5-carboxamide
CID 103849615
3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 125001107
tert-butyl N-[1-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptyl]carbamate
CID 31863964
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
4-amino-5-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-1H-pyrazole-3-carboxamide
CID 114143262
N-[(3-hydroxyoxolan-3-yl)methyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 136521180
3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]thiophene-2-carboxamide
CID 103849185
N-[3-(dimethylamino)-3-oxopropyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 47417059
N-[(3-hydroxyoxolan-3-yl)methyl]-2-methylsulfanylacetamide
CID 103848673

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 103848731) is 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCC1(O)CCOC1.
What is the InChIKey of 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is PCRHVOGCZXWNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-3-9-10(8(2)18-14-9)11(15)13-6-12(16)4-5-17-7-12/h16H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 103848731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).