N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine

C14H18N2O2 — CID 82357724

IUPACN-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine
SMILESCCNCc1ccc2oc(C3CCCO3)nc2c1
InChIInChI=1S/C14H18N2O2/c1-2-15-9-10-5-6-12-11(8-10)16-14(18-12)13-4-3-7-17-13/h5-6,8,13,15H,2-4,7,9H2,1H3
InChIKeyDVBAETOGKPQYSP-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.79
Rot. Bonds4

About N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine

N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine (PubChem CID 82357724) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine
PubChem CID82357724
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC NameN-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine
SMILESCCNCc1ccc2oc(C3CCCO3)nc2c1
InChIInChI=1S/C14H18N2O2/c1-2-15-9-10-5-6-12-11(8-10)16-14(18-12)13-4-3-7-17-13/h5-6,8,13,15H,2-4,7,9H2,1H3
InChIKeyDVBAETOGKPQYSP-UHFFFAOYSA-N
XLogP2.79
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methanol
CID 82357843
2-[(2R)-oxolan-2-yl]-1,3-benzoxazole
CID 122232513
N-[[2-(trifluoromethyl)-1,3-benzoxazol-5-yl]methyl]ethanamine
CID 82357751
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]-1-piperidin-3-ylmethanamine
CID 115209662
1-(2,1,3-benzothiadiazol-5-yl)-N-[[5-(oxan-2-yl)furan-2-yl]methyl]methanamine
CID 131913739
4-(ethylaminomethyl)-2-fluoro-N-methyl-N-(oxolan-2-ylmethyl)aniline
CID 61432117
2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 82834532
2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole
CID 82230675
N-[[5-(oxolan-2-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145817
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
1-(2-cyclopropyl-1,3-benzoxazol-5-yl)propan-1-one
CID 82284648
N-[(3,4-dichlorophenyl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 7324570

Frequently Asked Questions

What is the IUPAC name of N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine (CID 82357724) is N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine is CCNCc1ccc2oc(C3CCCO3)nc2c1.
What is the InChIKey of N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine?
The InChIKey is DVBAETOGKPQYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-2-15-9-10-5-6-12-11(8-10)16-14(18-12)13-4-3-7-17-13/h5-6,8,13,15H,2-4,7,9H2,1H3.
What are the key properties of N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine?
N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine has a molecular weight of 246.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(oxolan-2-yl)-1,3-benzoxazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 82357724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).