N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide

C12H20N2O3 — CID 115771797

IUPACN,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(CC)CCCO
InChIInChI=1S/C12H20N2O3/c1-4-10-11(9(3)17-13-10)12(16)14(5-2)7-6-8-15/h15H,4-8H2,1-3H3
InChIKeyLPXRYJYTQJEOKZ-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.39
Rot. Bonds6

About N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide

N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 115771797) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID115771797
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)N(CC)CCCO
InChIInChI=1S/C12H20N2O3/c1-4-10-11(9(3)17-13-10)12(16)14(5-2)7-6-8-15/h15H,4-8H2,1-3H3
InChIKeyLPXRYJYTQJEOKZ-UHFFFAOYSA-N
XLogP1.39
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,3-triethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 51073384
3-ethyl-N-(2-hydroxyethyl)-5-methyl-N-propan-2-yl-1,2-oxazole-4-carboxamide
CID 43573763
ethyl 2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propylamino]acetate
CID 61008042
3-ethyl-5-methyl-1,2-oxazole-4-carboxylic acid
CID 2063310
2-[ethyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 62818954
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 78990361
1-ethyl-3-(3-ethyl-5-methyl-1,2-oxazol-4-yl)-1-(2-hydroxyethyl)urea
CID 109397208
N-ethyl-N-(3-hydroxypropyl)-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 115771592
methyl 3-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-methylamino]propanoate
CID 54997668
3-[tert-butyl-(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 60825607
N,3-diethyl-N-[2-(4-methoxyanilino)-2-oxoethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4788334
2-[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)-propan-2-ylamino]acetic acid
CID 60831703

Frequently Asked Questions

What is the IUPAC name of N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 115771797) is N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)N(CC)CCCO.
What is the InChIKey of N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is LPXRYJYTQJEOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-10-11(9(3)17-13-10)12(16)14(5-2)7-6-8-15/h15H,4-8H2,1-3H3.
What are the key properties of N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide?
N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 240.30 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-diethyl-N-(3-hydroxypropyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 115771797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).