N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide

C18H11ClFN5O2 — CID 22478410

IUPACN-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccno1
InChIInChI=1S/C18H11ClFN5O2/c19-13-8-11(1-3-14(13)20)24-17-12-7-10(2-4-15(12)21-9-22-17)25-18(26)16-5-6-23-27-16/h1-9H,(H,25,26)(H,21,22,24)
InChIKeyFZPIRYLAYRXGAI-UHFFFAOYSA-N
MW383.77 g/mol
LogP4.41
Rot. Bonds4

About N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide

N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide (PubChem CID 22478410) has the molecular formula C18H11ClFN5O2 and a molecular weight of 383.77 g/mol. Its IUPAC name is N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide
PubChem CID22478410
Molecular FormulaC18H11ClFN5O2
Molecular Weight383.77 g/mol
Exact Mass383.06
IUPAC NameN-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccno1
InChIInChI=1S/C18H11ClFN5O2/c19-13-8-11(1-3-14(13)20)24-17-12-7-10(2-4-15(12)21-9-22-17)25-18(26)16-5-6-23-27-16/h1-9H,(H,25,26)(H,21,22,24)
InChIKeyFZPIRYLAYRXGAI-UHFFFAOYSA-N
XLogP4.41
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.77
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide (CID 22478410) is N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide is O=C(Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1)c1ccno1.
What is the InChIKey of N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is FZPIRYLAYRXGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5O2/c19-13-8-11(1-3-14(13)20)24-17-12-7-10(2-4-15(12)21-9-22-17)25-18(26)16-5-6-23-27-16/h1-9H,(H,25,26)(H,21,22,24).
What are the key properties of N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide?
N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 383.77 g/mol, XLogP of 4.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 22478410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).