N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine

C16H22N4O — CID 120844902

IUPACN-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
SMILESc1ccc(CN(Cc2cocn2)C2CCCNCC2)nc1
InChIInChI=1S/C16H22N4O/c1-2-8-18-14(4-1)10-20(11-15-12-21-13-19-15)16-5-3-7-17-9-6-16/h1-2,4,8,12-13,16-17H,3,5-7,9-11H2
InChIKeyWDVGRNBULUWIHM-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.21
Rot. Bonds5

About N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine

N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine (PubChem CID 120844902) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine.

Molecular Properties

Compound NameN-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
PubChem CID120844902
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine
SMILESc1ccc(CN(Cc2cocn2)C2CCCNCC2)nc1
InChIInChI=1S/C16H22N4O/c1-2-8-18-14(4-1)10-20(11-15-12-21-13-19-15)16-5-3-7-17-9-6-16/h1-2,4,8,12-13,16-17H,3,5-7,9-11H2
InChIKeyWDVGRNBULUWIHM-UHFFFAOYSA-N
XLogP2.21
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-methylpyridin-2-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)methanamine
CID 91838952
(1S)-N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-pyridin-2-ylpropan-1-amine
CID 95210403
2-(aminomethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide
CID 129052296
2-(2-aminoethyl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide
CID 129052811
N-[(3-fluoro-2-pyridinyl)methyl]-2-[2-[2-[(4Z)-2-methylhepta-2,4,6-trien-3-yl]iminopropylamino]ethyl]-1,3-oxazole-4-carboxamide
CID 142458516
N-[(3-fluoro-2-pyridinyl)methyl]-1,3-oxazole-4-carboxamide
CID 154015363
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]methanamine
CID 156830824
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 106370432
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 106370438
2-fluoro-N-(1,3-oxazol-4-ylmethyl)pyridin-4-amine
CID 131198015
N-(1,3-oxazol-4-ylmethyl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide
CID 136563680
N-(4-fluorophenyl)-2-[4-(1,3-oxazol-4-ylmethyl)piperazin-1-yl]acetamide
CID 137989329

Frequently Asked Questions

What is the IUPAC name of N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine?
The IUPAC name of N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine (CID 120844902) is N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine.
What is the SMILES notation for N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine?
The canonical SMILES for N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine is c1ccc(CN(Cc2cocn2)C2CCCNCC2)nc1.
What is the InChIKey of N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine?
The InChIKey is WDVGRNBULUWIHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-2-8-18-14(4-1)10-20(11-15-12-21-13-19-15)16-5-3-7-17-9-6-16/h1-2,4,8,12-13,16-17H,3,5-7,9-11H2.
What are the key properties of N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine?
N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-oxazol-4-ylmethyl)-N-(pyridin-2-ylmethyl)azepan-4-amine is sourced from PubChem (CID 120844902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).