N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide

C20H22FN3O2 — CID 55630143

IUPACN-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCC(Nc1ccc2oc(C(C)C)nc2c1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c1-12(2)20-24-17-10-16(8-9-18(17)26-20)23-13(3)19(25)22-11-14-4-6-15(21)7-5-14/h4-10,12-13,23H,11H2,1-3H3,(H,22,25)
InChIKeyDKNJLXNSXGYPCL-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.21
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide

N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide (PubChem CID 55630143) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
PubChem CID55630143
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
SMILESCC(Nc1ccc2oc(C(C)C)nc2c1)C(=O)NCc1ccc(F)cc1
InChIInChI=1S/C20H22FN3O2/c1-12(2)20-24-17-10-16(8-9-18(17)26-20)23-13(3)19(25)22-11-14-4-6-15(21)7-5-14/h4-10,12-13,23H,11H2,1-3H3,(H,22,25)
InChIKeyDKNJLXNSXGYPCL-UHFFFAOYSA-N
XLogP4.21
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide with MolForge

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Related Compounds

(2R)-N-carbamoyl-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide
CID 34339582
2-amino-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)butanamide
CID 43711177
N-(5-methylhexan-2-yl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745091
N-(2-propan-2-yl-1,3-benzoxazol-5-yl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 46416382
3-amino-4-oxo-4-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 64895304
(2S,3S)-2-amino-3-methyl-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)pentanamide
CID 61179344
N-[2-(4-methoxyphenyl)ethyl]-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]propanamide
CID 51248657
2-amino-3-(2-propan-2-yl-1,3-benzoxazol-5-yl)propanoic acid
CID 117373393
2-(propan-2-ylamino)-N-(2-propan-2-yl-1,3-benzoxazol-5-yl)acetamide
CID 60843076
(2S)-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-methyl-1,3-benzoxazol-5-yl)pentanamide
CID 41181659
N-(3-methylbutyl)-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 43745087
2-methyl-1-(2-propan-2-yl-1,3-benzoxazol-5-yl)propan-1-one
CID 82289176

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide (CID 55630143) is N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide is CC(Nc1ccc2oc(C(C)C)nc2c1)C(=O)NCc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide?
The InChIKey is DKNJLXNSXGYPCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-12(2)20-24-17-10-16(8-9-18(17)26-20)23-13(3)19(25)22-11-14-4-6-15(21)7-5-14/h4-10,12-13,23H,11H2,1-3H3,(H,22,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide?
N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide has a molecular weight of 355.41 g/mol, XLogP of 4.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-2-[(2-propan-2-yl-1,3-benzoxazol-5-yl)amino]propanamide is sourced from PubChem (CID 55630143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).