2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine

C17H17N3O — CID 104749624

IUPAC2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine
SMILESCc1ccc(CNc2ccc3oc(C4CC4)nc3c2)cn1
InChIInChI=1S/C17H17N3O/c1-11-2-3-12(9-18-11)10-19-14-6-7-16-15(8-14)20-17(21-16)13-4-5-13/h2-3,6-9,13,19H,4-5,10H2,1H3
InChIKeyJZHNYRGSVUZJOA-UHFFFAOYSA-N
MW279.34 g/mol
LogP4.02
Rot. Bonds4

About 2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine

2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine (PubChem CID 104749624) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine
PubChem CID104749624
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine
SMILESCc1ccc(CNc2ccc3oc(C4CC4)nc3c2)cn1
InChIInChI=1S/C17H17N3O/c1-11-2-3-12(9-18-11)10-19-14-6-7-16-15(8-14)20-17(21-16)13-4-5-13/h2-3,6-9,13,19H,4-5,10H2,1H3
InChIKeyJZHNYRGSVUZJOA-UHFFFAOYSA-N
XLogP4.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine with MolForge

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Related Compounds

2-cyclopropyl-N-(pyridin-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 43686438
2-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-1,3-benzoxazol-5-amine
CID 62345894
2-cyclopropyl-N-(1,3-thiazol-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 63657219
N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686403
N-[(6-methyl-3-pyridinyl)methyl]quinoxalin-6-amine
CID 104821970
5-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]thiophene-2-carbonitrile
CID 115743173
2-cyclopropyl-N-(piperidin-4-ylmethyl)-1,3-benzoxazol-5-amine
CID 79701065
2-cyclopropyl-N-(oxolan-2-ylmethyl)-1,3-benzoxazol-5-amine
CID 82834532
2-[[(2-cyclopropyl-1,3-benzoxazol-5-yl)amino]methyl]-2-methylbutan-1-ol
CID 81412586
N-cyclooctyl-2-cyclopropyl-1,3-benzoxazol-5-amine
CID 43686416
2-cyclopropyl-5-(2-methylpropyl)-1,3-benzoxazole
CID 82230675
4-N-[(6-methyl-3-pyridinyl)methyl]benzene-1,2,4-triamine
CID 106750778

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine?
The IUPAC name of 2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine (CID 104749624) is 2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine.
What is the SMILES notation for 2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine?
The canonical SMILES for 2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine is Cc1ccc(CNc2ccc3oc(C4CC4)nc3c2)cn1.
What is the InChIKey of 2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine?
The InChIKey is JZHNYRGSVUZJOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-2-3-12(9-18-11)10-19-14-6-7-16-15(8-14)20-17(21-16)13-4-5-13/h2-3,6-9,13,19H,4-5,10H2,1H3.
What are the key properties of 2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine?
2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine has a molecular weight of 279.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(6-methyl-3-pyridinyl)methyl]-1,3-benzoxazol-5-amine is sourced from PubChem (CID 104749624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).