2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide

C18H17FN2O2 — CID 110791108

IUPAC2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
SMILESCc1nc2ccc(CCNC(=O)Cc3cccc(F)c3)cc2o1
InChIInChI=1S/C18H17FN2O2/c1-12-21-16-6-5-13(10-17(16)23-12)7-8-20-18(22)11-14-3-2-4-15(19)9-14/h2-6,9-10H,7-8,11H2,1H3,(H,20,22)
InChIKeyMTEICWZBJWKVON-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.18
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide

2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide (PubChem CID 110791108) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
PubChem CID110791108
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
SMILESCc1nc2ccc(CCNC(=O)Cc3cccc(F)c3)cc2o1
InChIInChI=1S/C18H17FN2O2/c1-12-21-16-6-5-13(10-17(16)23-12)7-8-20-18(22)11-14-3-2-4-15(19)9-14/h2-6,9-10H,7-8,11H2,1H3,(H,20,22)
InChIKeyMTEICWZBJWKVON-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide
CID 110791067
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791037
3-methyl-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]butanamide
CID 110791042
3-(3-methoxyphenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]propanamide
CID 110791095
2-(3,4-dichlorophenyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 9051916
1-methyl-3-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]urea
CID 115169390
N-(2,4-difluorophenyl)-2-(2-methyl-1,3-benzoxazol-6-yl)acetamide
CID 110772044
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]pyridine-4-carboxamide
CID 110791080
N-[2-(3-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 18118749
N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]cyclopropanecarboxamide
CID 110791040
N-[2-(3-fluorophenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 31593146
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(3-fluorophenyl)ethyl]acetamide
CID 26463191

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide (CID 110791108) is 2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide is Cc1nc2ccc(CCNC(=O)Cc3cccc(F)c3)cc2o1.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide?
The InChIKey is MTEICWZBJWKVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12-21-16-6-5-13(10-17(16)23-12)7-8-20-18(22)11-14-3-2-4-15(19)9-14/h2-6,9-10H,7-8,11H2,1H3,(H,20,22).
What are the key properties of 2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide?
2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide has a molecular weight of 312.34 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-(2-methyl-1,3-benzoxazol-6-yl)ethyl]acetamide is sourced from PubChem (CID 110791108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).