N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine

C17H18N4O2 — CID 34001436

IUPACN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NCc3ccnc(N4CCOCC4)c3)nc2c1
InChIInChI=1S/C17H18N4O2/c1-2-4-15-14(3-1)20-17(23-15)19-12-13-5-6-18-16(11-13)21-7-9-22-10-8-21/h1-6,11H,7-10,12H2,(H,19,20)
InChIKeyDLHMYQUVNPJYCC-UHFFFAOYSA-N
MW310.36 g/mol
LogP2.67
Rot. Bonds4

About N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine

N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 34001436) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
PubChem CID34001436
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC NameN-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine
SMILESc1ccc2oc(NCc3ccnc(N4CCOCC4)c3)nc2c1
InChIInChI=1S/C17H18N4O2/c1-2-4-15-14(3-1)20-17(23-15)19-12-13-5-6-18-16(11-13)21-7-9-22-10-8-21/h1-6,11H,7-10,12H2,(H,19,20)
InChIKeyDLHMYQUVNPJYCC-UHFFFAOYSA-N
XLogP2.67
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine (CID 34001436) is N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine is c1ccc2oc(NCc3ccnc(N4CCOCC4)c3)nc2c1.
What is the InChIKey of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is DLHMYQUVNPJYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-2-4-15-14(3-1)20-17(23-15)19-12-13-5-6-18-16(11-13)21-7-9-22-10-8-21/h1-6,11H,7-10,12H2,(H,19,20).
What are the key properties of N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine?
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 310.36 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 34001436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).