2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide

C19H18FN3O4 — CID 50975163

IUPAC2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide
SMILESCOc1ccc2oc(CNC(=O)CCNC(=O)c3ccccc3F)nc2c1
InChIInChI=1S/C19H18FN3O4/c1-26-12-6-7-16-15(10-12)23-18(27-16)11-22-17(24)8-9-21-19(25)13-4-2-3-5-14(13)20/h2-7,10H,8-9,11H2,1H3,(H,21,25)(H,22,24)
InChIKeyLKEJXGOUHRVHAR-UHFFFAOYSA-N
MW371.37 g/mol
LogP2.41
Rot. Bonds7

About 2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide

2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide (PubChem CID 50975163) has the molecular formula C19H18FN3O4 and a molecular weight of 371.37 g/mol. Its IUPAC name is 2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide
PubChem CID50975163
Molecular FormulaC19H18FN3O4
Molecular Weight371.37 g/mol
Exact Mass371.13
IUPAC Name2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide
SMILESCOc1ccc2oc(CNC(=O)CCNC(=O)c3ccccc3F)nc2c1
InChIInChI=1S/C19H18FN3O4/c1-26-12-6-7-16-15(10-12)23-18(27-16)11-22-17(24)8-9-21-19(25)13-4-2-3-5-14(13)20/h2-7,10H,8-9,11H2,1H3,(H,21,25)(H,22,24)
InChIKeyLKEJXGOUHRVHAR-UHFFFAOYSA-N
XLogP2.41
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.37
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide (CID 50975163) is 2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide is COc1ccc2oc(CNC(=O)CCNC(=O)c3ccccc3F)nc2c1.
What is the InChIKey of 2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide?
The InChIKey is LKEJXGOUHRVHAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O4/c1-26-12-6-7-16-15(10-12)23-18(27-16)11-22-17(24)8-9-21-19(25)13-4-2-3-5-14(13)20/h2-7,10H,8-9,11H2,1H3,(H,21,25)(H,22,24).
What are the key properties of 2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide?
2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide has a molecular weight of 371.37 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[(5-methoxy-1,3-benzoxazol-2-yl)methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 50975163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).