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

C18H17FN2O2 — CID 110390579

IUPACN-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(CCC(=O)NCc3ccccc3F)ccc2o1
InChIInChI=1S/C18H17FN2O2/c1-12-21-16-10-13(6-8-17(16)23-12)7-9-18(22)20-11-14-4-2-3-5-15(14)19/h2-6,8,10H,7,9,11H2,1H3,(H,20,22)
InChIKeyKOZDULCYRFHJCN-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.52
Rot. Bonds5

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

N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide (PubChem CID 110390579) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
PubChem CID110390579
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC NameN-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
SMILESCc1nc2cc(CCC(=O)NCc3ccccc3F)ccc2o1
InChIInChI=1S/C18H17FN2O2/c1-12-21-16-10-13(6-8-17(16)23-12)7-9-18(22)20-11-14-4-2-3-5-15(14)19/h2-6,8,10H,7,9,11H2,1H3,(H,20,22)
InChIKeyKOZDULCYRFHJCN-UHFFFAOYSA-N
XLogP3.52
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxyphenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390584
3-(2-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]propanamide
CID 110707517
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390565
N-(2-methoxyethyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390561
2-(2-chlorophenyl)-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]acetamide
CID 110786404
2-(2-chlorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-5-yl)ethyl]acetamide
CID 110707532
3-(2-methyl-1,3-benzoxazol-5-yl)-N-(4-methylphenyl)propanamide
CID 110390639
3-(4-chlorophenyl)-N-[(2-fluorophenyl)methyl]propanamide
CID 41499879
2-(2-methyl-1,3-benzoxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110773886
2-(2-methyl-1,3-benzoxazol-5-yl)-N-(pyridin-4-ylmethyl)acetamide
CID 110773812
N-[(2,6-dimethyl-4-pyridinyl)methyl]-3-(2-fluorophenyl)propanamide
CID 91788479
N-(3-bromophenyl)-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide
CID 110390691

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide (CID 110390579) is N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide is Cc1nc2cc(CCC(=O)NCc3ccccc3F)ccc2o1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
The InChIKey is KOZDULCYRFHJCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12-21-16-10-13(6-8-17(16)23-12)7-9-18(22)20-11-14-4-2-3-5-15(14)19/h2-6,8,10H,7,9,11H2,1H3,(H,20,22).
What are the key properties of N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide?
N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide has a molecular weight of 312.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-3-(2-methyl-1,3-benzoxazol-5-yl)propanamide is sourced from PubChem (CID 110390579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).