N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide

C18H13N5O3 — CID 41356371

IUPACN-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C18H13N5O3/c1-23-17(20-21-22-23)11-5-4-6-12(9-11)19-18(25)16-10-14(24)13-7-2-3-8-15(13)26-16/h2-10H,1H3,(H,19,25)
InChIKeyXBZIDTFWDOQLFK-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.24
Rot. Bonds3

About N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide

N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide (PubChem CID 41356371) has the molecular formula C18H13N5O3 and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide
PubChem CID41356371
Molecular FormulaC18H13N5O3
Molecular Weight347.33 g/mol
Exact Mass347.10
IUPAC NameN-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide
SMILESCn1nnnc1-c1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1
InChIInChI=1S/C18H13N5O3/c1-23-17(20-21-22-23)11-5-4-6-12(9-11)19-18(25)16-10-14(24)13-7-2-3-8-15(13)26-16/h2-10H,1H3,(H,19,25)
InChIKeyXBZIDTFWDOQLFK-UHFFFAOYSA-N
XLogP2.24
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 54991442
(2S)-N-[3-(1-methyltetrazol-5-yl)phenyl]-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 26124939
2-bromo-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 17422742
N-(3,5-dimethylphenyl)-4-oxochromene-2-carboxamide
CID 3536636
4-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,2,5-oxadiazole-3-carboxamide
CID 62688500
2-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 62788208
3-chloro-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 30414116
4-oxo-N-[4-(tetrazol-1-yl)phenyl]chromene-2-carboxamide
CID 9111704
N-[3-(1-methyltetrazol-5-yl)phenyl]but-2-enamide
CID 112723851
3-amino-N-[3-(1-methyltetrazol-5-yl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 62808067
2-(1,3-dioxoisoindol-2-yl)-N-[3-(1-methyltetrazol-5-yl)phenyl]propanamide
CID 46683955
2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[3-(1-methyltetrazol-5-yl)phenyl]benzamide
CID 36809766

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide (CID 41356371) is N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide is Cn1nnnc1-c1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1.
What is the InChIKey of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide?
The InChIKey is XBZIDTFWDOQLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O3/c1-23-17(20-21-22-23)11-5-4-6-12(9-11)19-18(25)16-10-14(24)13-7-2-3-8-15(13)26-16/h2-10H,1H3,(H,19,25).
What are the key properties of N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide?
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methyltetrazol-5-yl)phenyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 41356371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).