4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

C20H16FN7O3 — CID 1440071

IUPAC4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)n2)no1
InChIInChI=1S/C20H16FN7O3/c1-12-10-17(26-31-12)23-18(29)11-28-25-19(24-27-28)13-4-8-16(9-5-13)22-20(30)14-2-6-15(21)7-3-14/h2-10H,11H2,1H3,(H,22,30)(H,23,26,29)
InChIKeyMFILMPVTFCSPMR-UHFFFAOYSA-N
MW421.39 g/mol
LogP2.67
Rot. Bonds6

About 4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide

4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (PubChem CID 1440071) has the molecular formula C20H16FN7O3 and a molecular weight of 421.39 g/mol. Its IUPAC name is 4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
PubChem CID1440071
Molecular FormulaC20H16FN7O3
Molecular Weight421.39 g/mol
Exact Mass421.13
IUPAC Name4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide
SMILESCc1cc(NC(=O)Cn2nnc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)n2)no1
InChIInChI=1S/C20H16FN7O3/c1-12-10-17(26-31-12)23-18(29)11-28-25-19(24-27-28)13-4-8-16(9-5-13)22-20(30)14-2-6-15(21)7-3-14/h2-10H,11H2,1H3,(H,22,30)(H,23,26,29)
InChIKeyMFILMPVTFCSPMR-UHFFFAOYSA-N
XLogP2.67
TPSA127.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.39
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide (CID 1440071) is 4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is Cc1cc(NC(=O)Cn2nnc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)n2)no1.
What is the InChIKey of 4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
The InChIKey is MFILMPVTFCSPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN7O3/c1-12-10-17(26-31-12)23-18(29)11-28-25-19(24-27-28)13-4-8-16(9-5-13)22-20(30)14-2-6-15(21)7-3-14/h2-10H,11H2,1H3,(H,22,30)(H,23,26,29).
What are the key properties of 4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide?
4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide has a molecular weight of 421.39 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]tetrazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 1440071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).