2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide

C13H16N6O3 — CID 17408499

IUPAC2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)Cn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C13H16N6O3/c1-9(2)14-12(21)15-11(20)8-18-13(22)19(17-16-18)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,14,15,20,21)
InChIKeyFTHGSRTXFIPFIB-UHFFFAOYSA-N
MW304.31 g/mol
LogP-0.34
Rot. Bonds4

About 2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide

2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide (PubChem CID 17408499) has the molecular formula C13H16N6O3 and a molecular weight of 304.31 g/mol. Its IUPAC name is 2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
PubChem CID17408499
Molecular FormulaC13H16N6O3
Molecular Weight304.31 g/mol
Exact Mass304.13
IUPAC Name2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide
SMILESCC(C)NC(=O)NC(=O)Cn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C13H16N6O3/c1-9(2)14-12(21)15-11(20)8-18-13(22)19(17-16-18)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,14,15,20,21)
InChIKeyFTHGSRTXFIPFIB-UHFFFAOYSA-N
XLogP-0.34
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 5037
1-Phenylimidazolidine-2,4-dione
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Ramifenazone hydrochloride
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3-Phenylimidazolidine-2,4-dione
CID 227930
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-phenylurea
CID 735751
5-Methyl-3-phenylimidazolidine-2,4-dione
CID 5146782
N-(Phenylcarbamoyl)-leucyl-methylazaalanine-nitrile
CID 50994057
N-(ethylcarbamoyl)-2-(N-methylanilino)acetamide
CID 2608330
N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N-methyl-N-phenylurea
CID 2945312
2-(2-Diethylcarbamoylmethyl-3,5-dioxo-4-phenyl-[1,2,4]triazolidin-1-yl)-N,N-diethyl-acetamide
CID 551781
1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)urea
CID 797020
1-(1,5-Dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-ethylthiourea
CID 754098

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The IUPAC name of 2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide (CID 17408499) is 2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide.
What is the SMILES notation for 2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The canonical SMILES for 2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide is CC(C)NC(=O)NC(=O)Cn1nnn(-c2ccccc2)c1=O.
What is the InChIKey of 2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide?
The InChIKey is FTHGSRTXFIPFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O3/c1-9(2)14-12(21)15-11(20)8-18-13(22)19(17-16-18)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H2,14,15,20,21).
What are the key properties of 2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide?
2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide has a molecular weight of 304.31 g/mol, XLogP of -0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxo-4-phenyltetrazol-1-yl)-N-(propan-2-ylcarbamoyl)acetamide is sourced from PubChem (CID 17408499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).