1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine

C12H15N3O — CID 116935433

IUPAC1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine
SMILESNC(c1ccc2ncoc2c1)C1CCCN1
InChIInChI=1S/C12H15N3O/c13-12(10-2-1-5-14-10)8-3-4-9-11(6-8)16-7-15-9/h3-4,6-7,10,12,14H,1-2,5,13H2
InChIKeyYBUMANCVMXGDDP-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.58
Rot. Bonds2

About 1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine

1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine (PubChem CID 116935433) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine.

Molecular Properties

Compound Name1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine
PubChem CID116935433
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine
SMILESNC(c1ccc2ncoc2c1)C1CCCN1
InChIInChI=1S/C12H15N3O/c13-12(10-2-1-5-14-10)8-3-4-9-11(6-8)16-7-15-9/h3-4,6-7,10,12,14H,1-2,5,13H2
InChIKeyYBUMANCVMXGDDP-UHFFFAOYSA-N
XLogP1.58
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-benzoxazol-6-yl(piperidin-4-yl)methanamine
CID 116935891
3-[amino(1,3-benzoxazol-6-yl)methyl]cyclobutan-1-amine
CID 116937387
4-[amino(1,3-benzoxazol-6-yl)methyl]cyclohexan-1-one
CID 116941976
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(pyrrolidin-2-yl)methanamine
CID 82296425
1-(1,3-benzoxazol-6-yl)-2-morpholin-3-ylethanamine
CID 116941514
6-[amino(pyrrolidin-2-yl)methyl]-3H-1,3-benzoxazol-2-one
CID 116935441
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(piperidin-2-yl)methanamine
CID 116935656
1-(1,3-benzoxazol-6-yl)-N-methyl-1-piperidin-3-ylmethanamine
CID 116951296
6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole
CID 116870823
2-amino-2-(1,3-benzoxazol-6-yl)ethanol
CID 82599704
6-propan-2-yl-1,3-benzoxazole
CID 21354846
(4-fluorophenyl)-piperidin-2-ylmethanamine
CID 116935636

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine?
The IUPAC name of 1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine (CID 116935433) is 1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine.
What is the SMILES notation for 1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine?
The canonical SMILES for 1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine is NC(c1ccc2ncoc2c1)C1CCCN1.
What is the InChIKey of 1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine?
The InChIKey is YBUMANCVMXGDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c13-12(10-2-1-5-14-10)8-3-4-9-11(6-8)16-7-15-9/h3-4,6-7,10,12,14H,1-2,5,13H2.
What are the key properties of 1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine?
1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine has a molecular weight of 217.27 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazol-6-yl(pyrrolidin-2-yl)methanamine is sourced from PubChem (CID 116935433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).