N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

C18H25N3O3 — CID 20923882

IUPACN-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESCN(C)CCN(Cc1ccco1)C(=O)c1noc2c1CCCCC2
InChIInChI=1S/C18H25N3O3/c1-20(2)10-11-21(13-14-7-6-12-23-14)18(22)17-15-8-4-3-5-9-16(15)24-19-17/h6-7,12H,3-5,8-11,13H2,1-2H3
InChIKeyGYFRLIDPBFFMSG-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.74
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide

N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (PubChem CID 20923882) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
PubChem CID20923882
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
SMILESCN(C)CCN(Cc1ccco1)C(=O)c1noc2c1CCCCC2
InChIInChI=1S/C18H25N3O3/c1-20(2)10-11-21(13-14-7-6-12-23-14)18(22)17-15-8-4-3-5-9-16(15)24-19-17/h6-7,12H,3-5,8-11,13H2,1-2H3
InChIKeyGYFRLIDPBFFMSG-UHFFFAOYSA-N
XLogP2.74
TPSA62.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 20923929
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22516668
N-butyl-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;N-(furan-2-ylmethyl)-5-methyl-N-(3-methylbutyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide;1-(2-methylphenyl)-3-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)urea
CID 158339121
N-benzyl-N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 110900748
5-chloro-N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 71972308
N-ethyl-N-(furan-2-ylmethyl)-3-hydroxypyridine-2-carboxamide
CID 61421116
N-(furan-2-ylmethyl)-8-methyl-N-(3-methylbutyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22551104
1-[methyl(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120540001
1-[2-(dimethylamino)ethyl]-1-(furan-2-ylmethyl)-3-(3-phenylprop-2-ynyl)urea
CID 71855981
1-ethyl-1-(furan-2-ylmethyl)-3,3-dimethylurea
CID 115581572
N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 97236889
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 97236890

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide (CID 20923882) is N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is CN(C)CCN(Cc1ccco1)C(=O)c1noc2c1CCCCC2.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
The InChIKey is GYFRLIDPBFFMSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-20(2)10-11-21(13-14-7-6-12-23-14)18(22)17-15-8-4-3-5-9-16(15)24-19-17/h6-7,12H,3-5,8-11,13H2,1-2H3.
What are the key properties of N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide?
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide is sourced from PubChem (CID 20923882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).