N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide

C21H16FN3O3 — CID 10022458

IUPACN-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide
SMILESCOc1ccc(-c2ccc(F)cc2)c2oc(NC(=O)c3ccnc(C)c3)nc12
InChIInChI=1S/C21H16FN3O3/c1-12-11-14(9-10-23-12)20(26)25-21-24-18-17(27-2)8-7-16(19(18)28-21)13-3-5-15(22)6-4-13/h3-11H,1-2H3,(H,24,25,26)
InChIKeyKMGVAJJCHUQKAE-UHFFFAOYSA-N
MW377.38 g/mol
LogP4.60
Rot. Bonds4

About N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide

N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide (PubChem CID 10022458) has the molecular formula C21H16FN3O3 and a molecular weight of 377.38 g/mol. Its IUPAC name is N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide
PubChem CID10022458
Molecular FormulaC21H16FN3O3
Molecular Weight377.38 g/mol
Exact Mass377.12
IUPAC NameN-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide
SMILESCOc1ccc(-c2ccc(F)cc2)c2oc(NC(=O)c3ccnc(C)c3)nc12
InChIInChI=1S/C21H16FN3O3/c1-12-11-14(9-10-23-12)20(26)25-21-24-18-17(27-2)8-7-16(19(18)28-21)13-3-5-15(22)6-4-13/h3-11H,1-2H3,(H,24,25,26)
InChIKeyKMGVAJJCHUQKAE-UHFFFAOYSA-N
XLogP4.60
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide (CID 10022458) is N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide is COc1ccc(-c2ccc(F)cc2)c2oc(NC(=O)c3ccnc(C)c3)nc12.
What is the InChIKey of N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide?
The InChIKey is KMGVAJJCHUQKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3/c1-12-11-14(9-10-23-12)20(26)25-21-24-18-17(27-2)8-7-16(19(18)28-21)13-3-5-15(22)6-4-13/h3-11H,1-2H3,(H,24,25,26).
What are the key properties of N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide?
N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-fluorophenyl)-4-methoxy-1,3-benzoxazol-2-yl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 10022458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).