(2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine

C14H16N2O — CID 82391208

IUPAC(2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine
SMILESNCC1CCc2oc(-c3ccccc3)nc2C1
InChIInChI=1S/C14H16N2O/c15-9-10-6-7-13-12(8-10)16-14(17-13)11-4-2-1-3-5-11/h1-5,10H,6-9,15H2
InChIKeyHMCWNNPUWUFUBJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.41
Rot. Bonds2

About (2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine

(2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine (PubChem CID 82391208) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is (2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine.

Molecular Properties

Compound Name(2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine
PubChem CID82391208
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name(2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine
SMILESNCC1CCc2oc(-c3ccccc3)nc2C1
InChIInChI=1S/C14H16N2O/c15-9-10-6-7-13-12(8-10)16-14(17-13)11-4-2-1-3-5-11/h1-5,10H,6-9,15H2
InChIKeyHMCWNNPUWUFUBJ-UHFFFAOYSA-N
XLogP2.41
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine
CID 115066018
[2-(4-chlorophenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066542
2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazole-5-carboxylic acid
CID 82293582
[2-(2-methylphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl]methanamine
CID 115066515
[2-[(3-fluorophenyl)methyl]-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl]methanamine
CID 115066139
2-phenyl-6-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 58076819
2-(3-bromophenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine
CID 131872662
5-amino-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)pentan-1-one;hydrochloride
CID 171710804
2-(cyclopropylamino)-1-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)ethanone
CID 170504582
oxolan-2-yl-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)methanone
CID 169413850
5-[(3-fluoro-5-methylphenyl)methyl]-2-pyridin-2-yl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 58077087
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzoxazol-6-amine
CID 115066506

Frequently Asked Questions

What is the IUPAC name of (2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine?
The IUPAC name of (2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine (CID 82391208) is (2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine.
What is the SMILES notation for (2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine?
The canonical SMILES for (2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine is NCC1CCc2oc(-c3ccccc3)nc2C1.
What is the InChIKey of (2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine?
The InChIKey is HMCWNNPUWUFUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-9-10-6-7-13-12(8-10)16-14(17-13)11-4-2-1-3-5-11/h1-5,10H,6-9,15H2.
What are the key properties of (2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine?
(2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine has a molecular weight of 228.30 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenyl-4,5,6,7-tetrahydro-1,3-benzoxazol-5-yl)methanamine is sourced from PubChem (CID 82391208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).