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

C13H17N3O3 — CID 2999613

IUPACN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(c2ccco2)N(C)C)no1
InChIInChI=1S/C13H17N3O3/c1-9-7-10(15-19-9)13(17)14-8-11(16(2)3)12-5-4-6-18-12/h4-7,11H,8H2,1-3H3,(H,14,17)
InChIKeyHJMBKPZTHIKUSG-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.61
Rot. Bonds5

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

N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 2999613) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID2999613
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(c2ccco2)N(C)C)no1
InChIInChI=1S/C13H17N3O3/c1-9-7-10(15-19-9)13(17)14-8-11(16(2)3)12-5-4-6-18-12/h4-7,11H,8H2,1-3H3,(H,14,17)
InChIKeyHJMBKPZTHIKUSG-UHFFFAOYSA-N
XLogP1.61
TPSA71.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 16193473
N-(furan-2-ylmethyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 973870
5-(2-furyl)-N-isobutylisoxazole-3-carboxamide
CID 3236696
5-(furan-2-yl)-N-propyl-1,2-oxazole-3-carboxamide
CID 3240242
N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 3243881
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-6-(2-furyl)-3-isobutyl-piperazin-2-one
CID 68158489
N-(2-furylmethyl)-5-(4-methylphenyl)-3-isoxazolecarboxamide
CID 1093774
5-(furan-2-yl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 3235773
5-(4-fluorophenyl)-N-(2-furylmethyl)isoxazole-3-carboxamide
CID 3238935
N-(2-furylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]isoxazole-3-carboxamide
CID 3241644
N-(2-furanylmethyl)-5-(3-methoxyphenyl)-3-isoxazolecarboxamide
CID 3244363
N-[(furan-2-yl)methyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 5307986

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 2999613) is N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC(c2ccco2)N(C)C)no1.
What is the InChIKey of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is HJMBKPZTHIKUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-7-10(15-19-9)13(17)14-8-11(16(2)3)12-5-4-6-18-12/h4-7,11H,8H2,1-3H3,(H,14,17).
What are the key properties of N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 2999613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).