5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide

C17H17ClFN3O3 — CID 53195379

IUPAC5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
SMILESCc1oc(CNC(=O)c2cc(Cl)ccc2F)nc1C(=O)N1CCCC1
InChIInChI=1S/C17H17ClFN3O3/c1-10-15(17(24)22-6-2-3-7-22)21-14(25-10)9-20-16(23)12-8-11(18)4-5-13(12)19/h4-5,8H,2-3,6-7,9H2,1H3,(H,20,23)
InChIKeyFVFCXYWXAWNUEM-UHFFFAOYSA-N
MW365.79 g/mol
LogP2.94
Rot. Bonds4

About 5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide

5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide (PubChem CID 53195379) has the molecular formula C17H17ClFN3O3 and a molecular weight of 365.79 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
PubChem CID53195379
Molecular FormulaC17H17ClFN3O3
Molecular Weight365.79 g/mol
Exact Mass365.09
IUPAC Name5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide
SMILESCc1oc(CNC(=O)c2cc(Cl)ccc2F)nc1C(=O)N1CCCC1
InChIInChI=1S/C17H17ClFN3O3/c1-10-15(17(24)22-6-2-3-7-22)21-14(25-10)9-20-16(23)12-8-11(18)4-5-13(12)19/h4-5,8H,2-3,6-7,9H2,1H3,(H,20,23)
InChIKeyFVFCXYWXAWNUEM-UHFFFAOYSA-N
XLogP2.94
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
The IUPAC name of 5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide (CID 53195379) is 5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide is Cc1oc(CNC(=O)c2cc(Cl)ccc2F)nc1C(=O)N1CCCC1.
What is the InChIKey of 5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
The InChIKey is FVFCXYWXAWNUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O3/c1-10-15(17(24)22-6-2-3-7-22)21-14(25-10)9-20-16(23)12-8-11(18)4-5-13(12)19/h4-5,8H,2-3,6-7,9H2,1H3,(H,20,23).
What are the key properties of 5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide?
5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide has a molecular weight of 365.79 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]methyl]benzamide is sourced from PubChem (CID 53195379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).