5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine

C19H21N3O2 — CID 166211073

IUPAC5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine
SMILESCc1ccc2oc(Nc3ccc(N4CCOCC4C)cc3)nc2c1
InChIInChI=1S/C19H21N3O2/c1-13-3-8-18-17(11-13)21-19(24-18)20-15-4-6-16(7-5-15)22-9-10-23-12-14(22)2/h3-8,11,14H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyVVYBVPGMHCNWGR-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.10
Rot. Bonds3

About 5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine

5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine (PubChem CID 166211073) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine
PubChem CID166211073
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine
SMILESCc1ccc2oc(Nc3ccc(N4CCOCC4C)cc3)nc2c1
InChIInChI=1S/C19H21N3O2/c1-13-3-8-18-17(11-13)21-19(24-18)20-15-4-6-16(7-5-15)22-9-10-23-12-14(22)2/h3-8,11,14H,9-10,12H2,1-2H3,(H,20,21)
InChIKeyVVYBVPGMHCNWGR-UHFFFAOYSA-N
XLogP4.10
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine (CID 166211073) is 5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine is Cc1ccc2oc(Nc3ccc(N4CCOCC4C)cc3)nc2c1.
What is the InChIKey of 5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine?
The InChIKey is VVYBVPGMHCNWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-13-3-8-18-17(11-13)21-19(24-18)20-15-4-6-16(7-5-15)22-9-10-23-12-14(22)2/h3-8,11,14H,9-10,12H2,1-2H3,(H,20,21).
What are the key properties of 5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine?
5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine has a molecular weight of 323.40 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(3-methylmorpholin-4-yl)phenyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 166211073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).