N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide

C19H11ClFN3O2 — CID 54596670

IUPACN-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccncc1F
InChIInChI=1S/C19H11ClFN3O2/c20-15-8-17-18(26-10-23-17)7-14(15)11-1-3-12(4-2-11)24-19(25)13-5-6-22-9-16(13)21/h1-10H,(H,24,25)
InChIKeyYHIAMCQYYHTFQT-UHFFFAOYSA-N
MW367.77 g/mol
LogP4.93
Rot. Bonds3

About N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide

N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 54596670) has the molecular formula C19H11ClFN3O2 and a molecular weight of 367.77 g/mol. Its IUPAC name is N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide
PubChem CID54596670
Molecular FormulaC19H11ClFN3O2
Molecular Weight367.77 g/mol
Exact Mass367.05
IUPAC NameN-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccncc1F
InChIInChI=1S/C19H11ClFN3O2/c20-15-8-17-18(26-10-23-17)7-14(15)11-1-3-12(4-2-11)24-19(25)13-5-6-22-9-16(13)21/h1-10H,(H,24,25)
InChIKeyYHIAMCQYYHTFQT-UHFFFAOYSA-N
XLogP4.93
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.77
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide (CID 54596670) is N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide is O=C(Nc1ccc(-c2cc3ocnc3cc2Cl)cc1)c1ccncc1F.
What is the InChIKey of N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is YHIAMCQYYHTFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClFN3O2/c20-15-8-17-18(26-10-23-17)7-14(15)11-1-3-12(4-2-11)24-19(25)13-5-6-22-9-16(13)21/h1-10H,(H,24,25).
What are the key properties of N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide?
N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 367.77 g/mol, XLogP of 4.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-chloro-1,3-benzoxazol-6-yl)phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 54596670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).