N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide

C19H15N5O3 — CID 18565652

IUPACN-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C19H15N5O3/c1-12-6-8-13(9-7-12)24-18(21-22-23-24)11-20-19(26)17-10-15(25)14-4-2-3-5-16(14)27-17/h2-10H,11H2,1H3,(H,20,26)
InChIKeyNTEIDPHUDQGZHQ-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.01
Rot. Bonds4

About N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide

N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide (PubChem CID 18565652) has the molecular formula C19H15N5O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide
PubChem CID18565652
Molecular FormulaC19H15N5O3
Molecular Weight361.36 g/mol
Exact Mass361.12
IUPAC NameN-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(-n2nnnc2CNC(=O)c2cc(=O)c3ccccc3o2)cc1
InChIInChI=1S/C19H15N5O3/c1-12-6-8-13(9-7-12)24-18(21-22-23-24)11-20-19(26)17-10-15(25)14-4-2-3-5-16(14)27-17/h2-10H,11H2,1H3,(H,20,26)
InChIKeyNTEIDPHUDQGZHQ-UHFFFAOYSA-N
XLogP2.01
TPSA102.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide (CID 18565652) is N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide is Cc1ccc(-n2nnnc2CNC(=O)c2cc(=O)c3ccccc3o2)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide?
The InChIKey is NTEIDPHUDQGZHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O3/c1-12-6-8-13(9-7-12)24-18(21-22-23-24)11-20-19(26)17-10-15(25)14-4-2-3-5-16(14)27-17/h2-10H,11H2,1H3,(H,20,26).
What are the key properties of N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide?
N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide has a molecular weight of 361.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)tetrazol-5-yl]methyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 18565652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).