N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C17H22N2O3 — CID 20923929

IUPACN-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCCCCN(Cc1ccco1)C(=O)c1noc2c1CCCC2
InChIInChI=1S/C17H22N2O3/c1-2-3-10-19(12-13-7-6-11-21-13)17(20)16-14-8-4-5-9-15(14)22-18-16/h6-7,11H,2-5,8-10,12H2,1H3
InChIKeyWPLXGUZQNUANNF-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.59
Rot. Bonds6

About N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 20923929) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID20923929
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCCCCN(Cc1ccco1)C(=O)c1noc2c1CCCC2
InChIInChI=1S/C17H22N2O3/c1-2-3-10-19(12-13-7-6-11-21-13)17(20)16-14-8-4-5-9-15(14)22-18-16/h6-7,11H,2-5,8-10,12H2,1H3
InChIKeyWPLXGUZQNUANNF-UHFFFAOYSA-N
XLogP3.59
TPSA59.48 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 20923882
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
N-butyl-N-(furan-2-ylmethyl)-3-hydroxybenzamide
CID 46987628
N-butyl-6-cyano-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 50985062
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]hexanamide
CID 93110032
N-butyl-N-(furan-2-ylmethyl)-4-[(5-methyltetrazol-1-yl)methyl]benzamide
CID 46986640
N-[2-(dimethylamino)ethyl]-N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 22516668
N-[2-[(4-fluorophenyl)methyl-(furan-2-ylmethyl)amino]-2-oxoethyl]-N-[[(2S)-oxolan-2-yl]methyl]nonanamide
CID 98396498
N-[2-[1,3-benzodioxol-5-ylmethyl(furan-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)tetradecanamide
CID 42773426
N-butyl-N-[2-[furan-2-ylmethyl-[[(2S)-oxolan-2-yl]methyl]amino]-2-oxoethyl]pentanamide
CID 93110010
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)pentanamide
CID 42724557

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 20923929) is N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CCCCN(Cc1ccco1)C(=O)c1noc2c1CCCC2.
What is the InChIKey of N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is WPLXGUZQNUANNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-2-3-10-19(12-13-7-6-11-21-13)17(20)16-14-8-4-5-9-15(14)22-18-16/h6-7,11H,2-5,8-10,12H2,1H3.
What are the key properties of N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 302.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(furan-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 20923929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).