N-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide

C18H13N5O3 — CID 23735340

IUPACN-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccc(-c4nn[nH]n4)cc3)cc(=O)c2c1
InChIInChI=1S/C18H13N5O3/c1-10(24)19-13-6-7-16-14(8-13)15(25)9-17(26-16)11-2-4-12(5-3-11)18-20-22-23-21-18/h2-9H,1H3,(H,19,24)(H,20,21,22,23)
InChIKeyWROQDPOTXWXPLN-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.60
Rot. Bonds3

About N-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide

N-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide (PubChem CID 23735340) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide.

Molecular Properties

Compound NameN-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide
PubChem CID23735340
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC NameN-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide
SMILESCC(=O)Nc1ccc2oc(-c3ccc(-c4nn[nH]n4)cc3)cc(=O)c2c1
InChIInChI=1S/C18H13N5O3/c1-10(24)19-13-6-7-16-14(8-13)15(25)9-17(26-16)11-2-4-12(5-3-11)18-20-22-23-21-18/h2-9H,1H3,(H,19,24)(H,20,21,22,23)
InChIKeyWROQDPOTXWXPLN-UHFFFAOYSA-N
XLogP2.60
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide?
The IUPAC name of N-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide (CID 23735340) is N-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide.
What is the SMILES notation for N-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide?
The canonical SMILES for N-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide is CC(=O)Nc1ccc2oc(-c3ccc(-c4nn[nH]n4)cc3)cc(=O)c2c1.
What is the InChIKey of N-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide?
The InChIKey is WROQDPOTXWXPLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c1-10(24)19-13-6-7-16-14(8-13)15(25)9-17(26-16)11-2-4-12(5-3-11)18-20-22-23-21-18/h2-9H,1H3,(H,19,24)(H,20,21,22,23).
What are the key properties of N-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide?
N-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide has a molecular weight of 347.33 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-2-[4-(2H-tetrazol-5-yl)phenyl]chromen-6-yl]acetamide is sourced from PubChem (CID 23735340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).