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

C14H16N2O3 — CID 24947639

IUPACN-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC1CCc2c(C(=O)NCc3ccco3)noc2C1
InChIInChI=1S/C14H16N2O3/c1-9-4-5-11-12(7-9)19-16-13(11)14(17)15-8-10-3-2-6-18-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyIBPNNGHNFWTRJU-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.32
Rot. Bonds3

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

N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 24947639) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID24947639
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC NameN-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESCC1CCc2c(C(=O)NCc3ccco3)noc2C1
InChIInChI=1S/C14H16N2O3/c1-9-4-5-11-12(7-9)19-16-13(11)14(17)15-8-10-3-2-6-18-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,17)
InChIKeyIBPNNGHNFWTRJU-UHFFFAOYSA-N
XLogP2.32
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-5-[(2-methylpyrazole-3-carbonyl)amino]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 155870774
(5R)-5-methyl-N-(pyridin-2-ylmethyl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 40651666
(5R)-N-[(2-methoxyphenyl)methyl]-5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 29056659
(5S)-N-(furan-2-ylmethyl)-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 9034359
N-(furan-2-ylmethyl)-N'-[(4-methylcyclohexylidene)amino]oxamide
CID 9352797
(6S)-2-[(2-chlorobenzoyl)amino]-N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 1037713
N-(furan-2-ylmethyl)-4H-chromeno[3,4-d][1,2]oxazole-3-carboxamide
CID 46271745
N-(furan-2-ylmethyl)-N'-[(E)-[(3R)-3-methylcyclohexylidene]amino]oxamide
CID 9352884
(E)-N'-[3-(1-azabicyclo[2.2.1]heptan-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]-N-(furan-2-ylmethyl)but-2-enediamide
CID 171705678
2-[2-[[(6R)-3-(furan-2-ylmethylcarbamoyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino]-2-oxoethoxy]acetic acid
CID 27524283
N-(furan-2-ylmethyl)-5-hydroxypyridine-3-carboxamide
CID 63864753
(5R)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 9080270

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 24947639) is N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is CC1CCc2c(C(=O)NCc3ccco3)noc2C1.
What is the InChIKey of N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is IBPNNGHNFWTRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-9-4-5-11-12(7-9)19-16-13(11)14(17)15-8-10-3-2-6-18-10/h2-3,6,9H,4-5,7-8H2,1H3,(H,15,17).
What are the key properties of N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-6-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 24947639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).