N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine

C17H19N3O2 — CID 51308914

IUPACN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine
SMILESc1coc(C(CNc2nc3ccccc3o2)N2CCCC2)c1
InChIInChI=1S/C17H19N3O2/c1-2-7-15-13(6-1)19-17(22-15)18-12-14(16-8-5-11-21-16)20-9-3-4-10-20/h1-2,5-8,11,14H,3-4,9-10,12H2,(H,18,19)
InChIKeyWPPFWPZZWZAPET-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.67
Rot. Bonds5

About N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine

N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine (PubChem CID 51308914) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine
PubChem CID51308914
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC NameN-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine
SMILESc1coc(C(CNc2nc3ccccc3o2)N2CCCC2)c1
InChIInChI=1S/C17H19N3O2/c1-2-7-15-13(6-1)19-17(22-15)18-12-14(16-8-5-11-21-16)20-9-3-4-10-20/h1-2,5-8,11,14H,3-4,9-10,12H2,(H,18,19)
InChIKeyWPPFWPZZWZAPET-UHFFFAOYSA-N
XLogP3.67
TPSA54.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-1,3-benzoxazol-2-amine
CID 71883513
N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine
CID 55023477
N-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 2571311
N-(cyclopropylmethyl)-2-(furan-2-yl)-2-pyrrolidin-1-ylethanamine
CID 43654889
2-(azepan-1-yl)-N-ethyl-2-(furan-2-yl)ethanamine
CID 22692497
2-tert-butyl-5-[[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]amino]-1,3-oxazole-4-carbonitrile
CID 17013378
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]quinoxaline-2-carboxamide
CID 18152829
N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzoxazol-2-amine
CID 102913887
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylpropan-1-amine
CID 83380875
1-(1-benzofuran-2-yl)-2-[[2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]ethanone
CID 110828646
N-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 18191352
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 94519626

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine (CID 51308914) is N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine is c1coc(C(CNc2nc3ccccc3o2)N2CCCC2)c1.
What is the InChIKey of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine?
The InChIKey is WPPFWPZZWZAPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-2-7-15-13(6-1)19-17(22-15)18-12-14(16-8-5-11-21-16)20-9-3-4-10-20/h1-2,5-8,11,14H,3-4,9-10,12H2,(H,18,19).
What are the key properties of N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine?
N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine has a molecular weight of 297.36 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 51308914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).