(1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate

C20H20F3N7O4 — CID 89272865

IUPAC(1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
SMILESCOC(C)(OC(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1)C(F)(F)F
InChIInChI=1S/C20H20F3N7O4/c1-19(32-3,20(21,22)23)34-18(31)25-15-11-7-10-14(24-15)12-33-27-16(13-8-5-4-6-9-13)17-26-28-29-30(17)2/h4-11H,12H2,1-3H3,(H,24,25,31)/b27-16-
InChIKeyOKGIYOYMDMKDHY-YUMHPJSZSA-N
MW479.42 g/mol
LogP3.05
Rot. Bonds8

About (1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate

(1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate (PubChem CID 89272865) has the molecular formula C20H20F3N7O4 and a molecular weight of 479.42 g/mol. Its IUPAC name is (1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate.

Molecular Properties

Compound Name(1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
PubChem CID89272865
Molecular FormulaC20H20F3N7O4
Molecular Weight479.42 g/mol
Exact Mass479.15
IUPAC Name(1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate
SMILESCOC(C)(OC(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1)C(F)(F)F
InChIInChI=1S/C20H20F3N7O4/c1-19(32-3,20(21,22)23)34-18(31)25-15-11-7-10-14(24-15)12-33-27-16(13-8-5-4-6-9-13)17-26-28-29-30(17)2/h4-11H,12H2,1-3H3,(H,24,25,31)/b27-16-
InChIKeyOKGIYOYMDMKDHY-YUMHPJSZSA-N
XLogP3.05
TPSA125.64 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.42
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Picarbutrazox
CID 56945144
[3-(tetrazol-1-yl)phenyl]methyl N-[6-(trifluoromethyl)pyridin-2-yl]carbamate
CID 68486785
6-{[({[2-fluoro-3-(trifluoromethyl)phenyl](1-methyl-1H-tetrazol-5-yl)methylidene}amino)oxy]methyl}pyridin-2-amine
CID 86647355
N-(6-{[({[2-fluoro-3-(trifluoromethyl)phenyl](1-methyl-1H-tetrazol-5-yl)methylidene}amino)oxy]methyl}pyridin-2-yl)hexanamide
CID 86647356
N-[6-[[(E)-[[2-fluoro-3-(trifluoromethyl)phenyl]-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]hexanamide
CID 87452072
(1-ethoxy-2,2,2-trifluoroethyl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-yl]carbamate
CID 89272839
2,2-diethoxy-N-[6-[[(Z)-[(4-fluoro-3-methylphenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide
CID 89272843
2,2-diethoxy-N-[6-[[(Z)-[(3-fluorophenyl)-(1-methyltetrazol-5-yl)methylidene]amino]oxymethyl]-2-pyridinyl]acetamide
CID 89272866
5-fluoro-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]-1,3-dioxane-2-carboxamide
CID 89272898
2-ethoxy-N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-yl]-2-(2,2,2-trifluoroethoxy)propanamide
CID 89282645
5,5-bis(2,2,2-trifluoroethoxy)octan-2-yl N-[6-[[(Z)-[2-[hydrazinyl(methyl)amino]-2-imino-1-phenylethylidene]amino]oxymethyl]pyridin-2-yl]carbamate
CID 89282740
(1,1,1,3,3,3-hexafluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]pyridin-2-yl]carbamate
CID 89282741

Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate?
The IUPAC name of (1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate (CID 89272865) is (1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate.
What is the SMILES notation for (1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate?
The canonical SMILES for (1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate is COC(C)(OC(=O)Nc1cccc(CO/N=C(/c2ccccc2)c2nnnn2C)n1)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate?
The InChIKey is OKGIYOYMDMKDHY-YUMHPJSZSA-N. The full InChI is InChI=1S/C20H20F3N7O4/c1-19(32-3,20(21,22)23)34-18(31)25-15-11-7-10-14(24-15)12-33-27-16(13-8-5-4-6-9-13)17-26-28-29-30(17)2/h4-11H,12H2,1-3H3,(H,24,25,31)/b27-16-.
What are the key properties of (1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate?
(1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate has a molecular weight of 479.42 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-2-methoxypropan-2-yl) N-[6-[[(Z)-[(1-methyltetrazol-5-yl)-phenylmethylidene]amino]oxymethyl]-2-pyridinyl]carbamate is sourced from PubChem (CID 89272865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).