N-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine

C22H27FN2O2 — CID 10406848

IUPACN-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCCCOCC(Cc1ccc(F)cc1)Nc1nc2cc(C(C)C)ccc2o1
InChIInChI=1S/C22H27FN2O2/c1-4-11-26-14-19(12-16-5-8-18(23)9-6-16)24-22-25-20-13-17(15(2)3)7-10-21(20)27-22/h5-10,13,15,19H,4,11-12,14H2,1-3H3,(H,24,25)
InChIKeyFSVKOPFQXIADID-UHFFFAOYSA-N
MW370.47 g/mol
LogP5.54
Rot. Bonds9

About N-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine

N-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine (PubChem CID 10406848) has the molecular formula C22H27FN2O2 and a molecular weight of 370.47 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine
PubChem CID10406848
Molecular FormulaC22H27FN2O2
Molecular Weight370.47 g/mol
Exact Mass370.21
IUPAC NameN-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine
SMILESCCCOCC(Cc1ccc(F)cc1)Nc1nc2cc(C(C)C)ccc2o1
InChIInChI=1S/C22H27FN2O2/c1-4-11-26-14-19(12-16-5-8-18(23)9-6-16)24-22-25-20-13-17(15(2)3)7-10-21(20)27-22/h5-10,13,15,19H,4,11-12,14H2,1-3H3,(H,24,25)
InChIKeyFSVKOPFQXIADID-UHFFFAOYSA-N
XLogP5.54
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.47
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
The IUPAC name of N-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine (CID 10406848) is N-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine is CCCOCC(Cc1ccc(F)cc1)Nc1nc2cc(C(C)C)ccc2o1.
What is the InChIKey of N-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
The InChIKey is FSVKOPFQXIADID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O2/c1-4-11-26-14-19(12-16-5-8-18(23)9-6-16)24-22-25-20-13-17(15(2)3)7-10-21(20)27-22/h5-10,13,15,19H,4,11-12,14H2,1-3H3,(H,24,25).
What are the key properties of N-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine?
N-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine has a molecular weight of 370.47 g/mol, XLogP of 5.54, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)-3-propoxypropan-2-yl]-5-propan-2-yl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 10406848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).