N-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide

C16H15N5O2 — CID 935931

IUPACN-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide
SMILESCn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C16H15N5O2/c1-21-19-16(18-20-21)17-15(22)13-8-5-9-14(10-13)23-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,17,19,22)
InChIKeyUEXKVOUZOPKYCK-UHFFFAOYSA-N
MW309.33 g/mol
LogP2.04
Rot. Bonds5

About N-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide

N-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide (PubChem CID 935931) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide
PubChem CID935931
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide
SMILESCn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1
InChIInChI=1S/C16H15N5O2/c1-21-19-16(18-20-21)17-15(22)13-8-5-9-14(10-13)23-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,17,19,22)
InChIKeyUEXKVOUZOPKYCK-UHFFFAOYSA-N
XLogP2.04
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Bas 07005712
CID 656143
N-(1-ethyltetrazol-5-yl)-3-methoxybenzamide
CID 925659
3-ethoxy-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893318
4-methoxy-N-(2-propyltetrazol-5-yl)benzamide
CID 900454
3-methoxy-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 4055929
3-Propoxy-N-(2-propyl-2H-tetrazol-5-yl)-benzamide
CID 649277
4-ethoxy-N-(2-ethyl-2H-tetrazol-5-yl)benzamide
CID 654362
2-ethoxy-N-(1H-tetrazol-5-yl)benzamide
CID 896527
N-(2-ethyl-2H-tetrazol-5-yl)-3-(2-oxo-2H-chromen-3-yl)benzamide
CID 1091686
3-(allyloxy)-N-4H-1,2,4-triazol-3-ylbenzamide
CID 2995099
3-isopropoxy-N-4H-1,2,4-triazol-3-ylbenzamide
CID 6458685
3-(benzyloxy)-N-(2-propyl-2H-tetrazol-5-yl)benzamide
CID 893746

Frequently Asked Questions

What is the IUPAC name of N-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide?
The IUPAC name of N-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide (CID 935931) is N-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide.
What is the SMILES notation for N-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide?
The canonical SMILES for N-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide is Cn1nnc(NC(=O)c2cccc(OCc3ccccc3)c2)n1.
What is the InChIKey of N-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide?
The InChIKey is UEXKVOUZOPKYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c1-21-19-16(18-20-21)17-15(22)13-8-5-9-14(10-13)23-11-12-6-3-2-4-7-12/h2-10H,11H2,1H3,(H,17,19,22).
What are the key properties of N-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide?
N-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide has a molecular weight of 309.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyltetrazol-5-yl)-3-phenylmethoxybenzamide is sourced from PubChem (CID 935931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).