1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile

C14H15N3O — CID 115245286

IUPAC1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(CNCc2ccc3ncoc3c2)CCC1
InChIInChI=1S/C14H15N3O/c15-8-14(4-1-5-14)9-16-7-11-2-3-12-13(6-11)18-10-17-12/h2-3,6,10,16H,1,4-5,7,9H2
InChIKeyQGQFRPODBBPPKZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.61
Rot. Bonds4

About 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile

1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile (PubChem CID 115245286) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile.

Molecular Properties

Compound Name1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile
PubChem CID115245286
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile
SMILESN#CC1(CNCc2ccc3ncoc3c2)CCC1
InChIInChI=1S/C14H15N3O/c15-8-14(4-1-5-14)9-16-7-11-2-3-12-13(6-11)18-10-17-12/h2-3,6,10,16H,1,4-5,7,9H2
InChIKeyQGQFRPODBBPPKZ-UHFFFAOYSA-N
XLogP2.61
TPSA61.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclopropan-1-amine
CID 115256700
(1,3-benzoxazol-6-ylmethylamino)methanol
CID 115229031
1-(1,3-benzoxazol-6-yl)-N-(chloromethyl)methanamine
CID 115263067
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(1,3-benzoxazol-6-yl)ethanamine
CID 115245921
2-(1,3-benzoxazol-6-ylmethylamino)acetaldehyde
CID 115222967
N-(1,3-benzoxazol-6-ylmethyl)-2-chloroethanamine
CID 115214866
N'-(1,3-benzoxazol-6-ylmethyl)-N-ethylethane-1,2-diamine
CID 115205865
1-amino-3-(1,3-benzoxazol-6-ylmethylamino)propan-2-ol
CID 115121411
1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245288
1-[[(2-methyl-3H-benzimidazol-5-yl)methylamino]methyl]cyclopropane-1-carbonitrile
CID 115242286
N-(1,3-benzoxazol-6-ylmethyl)-2-pyrrolidin-2-ylethanamine
CID 115210326
1-N-(1,3-benzoxazol-6-ylmethyl)cyclopentane-1,2-diamine
CID 115117420

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile?
The IUPAC name of 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile (CID 115245286) is 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile.
What is the SMILES notation for 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile?
The canonical SMILES for 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile is N#CC1(CNCc2ccc3ncoc3c2)CCC1.
What is the InChIKey of 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile?
The InChIKey is QGQFRPODBBPPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c15-8-14(4-1-5-14)9-16-7-11-2-3-12-13(6-11)18-10-17-12/h2-3,6,10,16H,1,4-5,7,9H2.
What are the key properties of 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile?
1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile has a molecular weight of 241.29 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,3-benzoxazol-6-ylmethylamino)methyl]cyclobutane-1-carbonitrile is sourced from PubChem (CID 115245286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).