2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine

C14H17N3O — CID 114462412

IUPAC2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine
SMILESCC1=CCN(Cc2nc3cc(N)ccc3o2)CC1
InChIInChI=1S/C14H17N3O/c1-10-4-6-17(7-5-10)9-14-16-12-8-11(15)2-3-13(12)18-14/h2-4,8H,5-7,9,15H2,1H3
InChIKeyMUUMIYOWBZQVEY-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.56
Rot. Bonds2

About 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine

2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine (PubChem CID 114462412) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine
PubChem CID114462412
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine
SMILESCC1=CCN(Cc2nc3cc(N)ccc3o2)CC1
InChIInChI=1S/C14H17N3O/c1-10-4-6-17(7-5-10)9-14-16-12-8-11(15)2-3-13(12)18-14/h2-4,8H,5-7,9,15H2,1H3
InChIKeyMUUMIYOWBZQVEY-UHFFFAOYSA-N
XLogP2.56
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(azocan-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79964558
2-(8-azaspiro[4.5]decan-8-ylmethyl)-1,3-benzoxazol-5-amine
CID 79959976
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-4-amine
CID 114462231
2-[(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-6-amine
CID 114462071
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazol-5-amine
CID 79959773
2-[4-[(5-amino-1,3-benzoxazol-2-yl)methyl]piperazin-1-yl]ethanol
CID 79964992
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-1,3-benzoxazol-5-amine
CID 79964226
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 115558977
4-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]aniline
CID 82364120
2-[(3-methylpyrazol-1-yl)methyl]-1,3-benzoxazol-5-amine
CID 79973306
2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79959759
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-1,3-benzoxazol-5-amine
CID 79959744

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine (CID 114462412) is 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine is CC1=CCN(Cc2nc3cc(N)ccc3o2)CC1.
What is the InChIKey of 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine?
The InChIKey is MUUMIYOWBZQVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-4-6-17(7-5-10)9-14-16-12-8-11(15)2-3-13(12)18-14/h2-4,8H,5-7,9,15H2,1H3.
What are the key properties of 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine?
2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine has a molecular weight of 243.31 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methyl-3,6-dihydro-2H-pyridin-1-yl)methyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 114462412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).